Spreadsheet: 498069c4-3818-4f9c-b401-beedd3548a32
Sheet: Sheet1

S2, SUPPLEMENTAL TABLE 2:  METABOLITE QUANTIFIER ION PEAK HEIGHTS, COMPARING TYPE 2 DM VS. CONTROL SUBJECTS | Unnamed: 1 | Unnamed: 2 | Unnamed: 3 | Unnamed: 4 | Unnamed: 5 | Unnamed: 6 | Unnamed: 7 | Unnamed: 8 | Unnamed: 9 | Unnamed: 10 | Unnamed: 11 | Unnamed: 12 | Unnamed: 13 | Unnamed: 14 | Unnamed: 15 | Unnamed: 16 | Unnamed: 17 | Unnamed: 18 | Unnamed: 19 | Unnamed: 20 | Unnamed: 21 | Unnamed: 22 | Unnamed: 23 | Unnamed: 24 | Unnamed: 25 | Unnamed: 26 | Unnamed: 27 | Unnamed: 28 | Unnamed: 29 | Unnamed: 30 | Unnamed: 31 | Unnamed: 32 | Unnamed: 33 | Unnamed: 34 | Unnamed: 35 | Unnamed: 36 | Unnamed: 37 | Unnamed: 38 | Unnamed: 39 | Unnamed: 40 | Unnamed: 41 | Unnamed: 42 | Unnamed: 43 | Unnamed: 44 | Unnamed: 45 | Unnamed: 46 | Unnamed: 47 | Unnamed: 48 | Unnamed: 49 | Unnamed: 50 | Unnamed: 51 | Unnamed: 52 | Unnamed: 53 | Unnamed: 54 | Unnamed: 55 | Unnamed: 56 | Unnamed: 57 | Unnamed: 58 | Unnamed: 59 | Unnamed: 60 | Unnamed: 61 | Unnamed: 62 | Unnamed: 63 | Unnamed: 64 | Unnamed: 65 | Unnamed: 66 | Unnamed: 67 | Diabetes Effects: | Unnamed: 69 | Unnamed: 70 | Unnamed: 71 | Unnamed: 72 | Unnamed: 73 | Unnamed: 74 | Unnamed: 75
 |  |  |  |  |  |  |  | G/G Genotypes: |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | G/A Genotypes: |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Average, Diabetics | SEM, Diabetics | G/G Genotypes: |  |  |  |  |  | G/A Genotypes: |  |  |  |  |  | Average, Non-Diabetics | SEM, Non-Diabetics | Absolute Difference in Diabetics | All [NAME] vs. Non-Diabetics, Pval: | Diabetic, % of Non-Diabetic | Present in some diabetics but absent in all non-diabetics | Percent of Present Calls, Diabetic:Non-Diabetic | Significant at p<0.05?
Subject ID: |  |  |  |  |  |  |  | 383 | 360 | 257 | 376 | 273 | 175 | 33 | 345 | 266 | 171 | 422 | 94 | 385 | 261 | 374 | 226 | 315 | 347 | 142 | 227 | 160 | 163 | 179 | 201 | 442 | 340 | 343 | 336 | 267 | 255 | 333 | 164 | 204 | 300 | 285 | 184 | 217 | 316 | 319 | 397 | 297 | 326 | 161 |  |  | 233 | 152 | 325 | 406 | 341 | 110 | 202 | 157 | 183 | 388 | 218 | 198
Diabetic? |  |  |  |  |  |  |  | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES | YES |  |  | NO | NO | NO | NO | NO | NO | NO | NO | NO | NO | NO | NO
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Diabetes Effects:
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Average, Diabetics | SEM, Diabetics |  |  |  |  |  |  |  |  |  |  |  |  | Average, Non-Diabetics | SEM, Non-Diabetics | Absolute Difference in Diabetics | All [NAME] vs. Non-Diabetics, t-TEST Pval: | Diabetic, % of Non-Diabetic | Present in some diabetics but absent in all non-diabetics | Percent of Present Calls, Diabetic:Non-Diabetic | Significant at p<0.05? | BB name
BB name | ret index | quant ion | BB id | mass spec | PubChem | KEGG
206604 | 653437 | 147 | 206604 | 85:223.0 86:128.0 87:184.0 88:184.0 89:827.0 90:149.0 91:174.0 92:21.0 93:56.0 94:21.0 95:46.0 96:127.0 97:39.0 98:195.0 99:246.0 100:777.0 101:353.0 102:80.0 103:6283.0 104:584.0 105:326.0 106:26.0 107:9.0 108:3.0 110:21.0 111:16.0 112:34.0 113:120.0 114 |  |  |  | 3124322 | 509800 | 629251 | 74264 | 3755870 | 3441445 | 365496 | 73694 | 71735 | 2069761 | 33590 | 2239061 | 81733 | 2439971 | 4400883 | 688854 | 743831 | 406192 | 35459 | 1525052 | 322652 | 3955015 | 474802 | 857071 | 3910399 | 269332 | 43537 | 854405 | 331811 | 1233698 | 2873544 | 3090431 | 181091 | 244020 | 3129848 | 3517260 | 233076 | 2065738 | 46903 | 50197 | 477739 | 283817 | 303165 | 1289763.139534884 | 213551.9948571909 | 21789 | 13655 | 19729 | 123428 | 349841 | 25087 | 14656 | 22558 | 56694 | 14467 | 44631 | 12711 | 59937.16666666666 | 27865.21954408217 | 1229825.972868217 | 0.003884571179872395 | 2151.858706814999 |  |  | *** | 206604
3-hydroxybutanoic acid | 278929 | 191 | 199774 | 85:1032.0 86:45.0 87:1381.0 88:11231.0 89:1535.0 90:124.0 92:82.0 93:92.0 94:173.0 95:126.0 96:28.0 97:148.0 98:175.0 99:2490.0 100:516.0 101:4455.0 102:756.0 103:2543.0 104:310.0 105:767.0 106:105.0 107:176.0 108:29.0 109:440.0 110:30.0 111:42.0 112:19.0 | 11266 | C05984 |  | 118595 | 17109 | 17032 | 22587 | 51570 | 115696 | 22869 | 7329 | 27021 | 27000 | 23527 | 12715 | 67720 | 19769 | 63425 | 59768 | 7545 | 11032 | 26990 | 29141 | 95573 | 58472 | 22080 | 8883 | 39094 | 19867 | 56261 | 49924 | 50607 | 30752 | 325798 | 264714 | 16149 | 23090 | 15768 | 32500 | 14189 | 6140 | 42146 | 51140 | 7064 | 12250 | 48335 | 47424.09302325582 | 9449.508868615567 | 10520 | 3343 | 14402 | 7042 | 5402 | 22741 | 8848 | 12999 | 8818 | 12273 | 8591 | 13134 | 10676.08333333333 | 1454.86392396247 | 36748.00968992248 | 0.04647317836038138 | 444.2087190832076 |  |  | *** | 3-hydroxybutanoic acid
223513 | 808133 | 98 | 223513 | 85:35.0 86:155.0 87:80.0 89:1128.0 94:18.0 95:28.0 96:96.0 98:7743.0 99:753.0 100:424.0 101:231.0 102:9.0 103:6080.0 104:552.0 105:90.0 109:36.0 110:121.0 113:135.0 114:129.0 117:1687.0 118:57.0 122:2.0 123:63.0 124:63.0 125:188.0 128:135.0 129:878.0 130: |  |  |  | 25647 | 8180 | 13005 | 12943 | 22135 | 17427 | 8255 | 7146 | 9862 | 9136 | 11556 | 11816 | 8629 | 9483 | 21365 | 11703 | 9104 | 9208 | 9891 | 11144 | 11441 | 16633 | 12508 | 10962 | 13768 | 11350 | 6984 | 13152 | 11764 | 19417 | 22694 | 7572 | 10130 | 5788 | 11985 | 14349 | 6973 | 7383 | 9370 | 13139 | 4442 | 9354 | 5694 | 11732.25581395349 | 728.2257539518506 | 5823 | 2654 | 4203 | 2748 | 3199 | 6788 | 1247 | 4567 | 1695 | 2730 | 6474 | 1474 | 3633.5 | 556.4648359387713 | 8098.755813953489 | 5.128452525720967e-07 | 322.8913117917569 |  |  | *** | 223513
228939 | 253563 | 154 | 228939 | 86:1998.0 88:1610.0 89:223.0 90:127.0 91:1029.0 92:59.0 94:7544.0 95:1768.0 96:4263.0 97:2414.0 98:7956.0 99:2889.0 100:19590.0 101:1373.0 102:3035.0 103:25.0 105:125.0 106:248.0 107:8357.0 108:1783.0 109:277.0 110:18771.0 111:4966.0 112:2756.0 113:1237.0 |  |  |  | 53613 | 22795 | 33474 | 82450 | 143447 | 65433 | 126804 | 45176 | 23608 | 134013 | 8394 | 277303 | 7704 | 84913 | 136930 | 6841957 | 179311 | 29209 | 34381 | 156437 | 66202 | 149212 | 17159 | 39996 | 150008 | 95512 | 27438 | 113583 | 86447 | 105934 | 18130 | 28250 | 21962 | 197730 | 97051 | 3516 | 23492 | 186598 | 46110 | 35063 | 60341 | 19876 | 5408 | 234473.7209302326 | 157619.7251165035 | 37145 | 36753 | 59178 | 168550 | 205725 | 80355 | 94749 | 51993 | 20001 | 100806 | 1473 | 23445 | 73347.75 | 17764.67322411166 | 161125.9709302326 | 0.5941068034489769 | 319.6740471660447 |  |  |  | 228939
225539 | 798935 | 387 | 225539 | 85:876.0 86:298.0 88:454.0 89:4210.0 90:134.0 92:41.0 94:511.0 95:491.0 96:172.0 97:194.0 98:18165.0 99:2164.0 100:369.0 101:1894.0 102:413.0 103:21196.0 104:1528.0 105:1224.0 107:220.0 109:125.0 110:174.0 111:402.0 112:245.0 113:853.0 114:654.0 115:74.0 |  |  |  | 3194 | 828 | 1329 | 1530 | 2037 | 1662 | 1284 | 364 | 1105 | 1417 | 924 | 1504 | 1099 | 839 | 2638 | 1407 | 1530 | 840 | 985 | 1473 | 1145 | 2576 | 1105 | 884 | 2009 | 1119 | 543 | 1407 | 1177 | 2520 | 2300 | 902 | 1054 | 1134 | 1816 | 1073 | 636 | 1133 | 1386 | 985 | 702 | 685 | 746 | 1326.186046511628 | 93.3473090458759 | 535 | 341 | 273 | 339 | 646 | 961 | 209 | 495 | 358 | 304 | 552 | 263 | 439.6666666666667 | 61.31579129903048 | 886.5193798449611 | 9.222438027187187e-06 | 301.6344305940018 |  |  | *** | 225539
226851 | 788409 | 373 | 226851 | 85:4922.0 86:1762.0 87:693.0 88:677.0 89:7422.0 90:420.0 91:289.0 93:161.0 94:391.0 95:323.0 96:595.0 97:206.0 98:1021.0 99:1121.0 100:1688.0 101:1977.0 102:623.0 103:30135.0 104:2735.0 105:1786.0 107:102.0 108:192.0 109:674.0 110:955.0 111:1758.0 112:485 |  |  |  | 16275 | 6298 | 6832 | 8407 | 8223 | 8641 | 5110 | 5578 | 5498 | 5924 | 6671 | 7294 | 4537 | 5565 | 10560 | 7446 | 7557 | 5849 | 4684 | 6191 | 5564 | 9622 | 8814 | 5627 | 7731 | 4687 | 4243 | 5906 | 5638 | 9608 | 12200 | 5544 | 5322 | 4388 | 8922 | 7538 | 5364 | 5068 | 5562 | 7334 | 2940 | 5416 | 3306 | 6732.186046511628 | 371.272568778775 | 3780 | 1503 | 1788 | 2316 | 2661 | 4729 | 995 | 2639 | 601 | 1398 | 3857 | 843 | 2259.166666666667 | 381.023458940032 | 4473.019379844962 | 1.29416878783301e-07 | 297.9942182151956 |  |  | *** | 226851
210286 | 701682 | 217 | 210286 | 85:1289.0 86:1081.0 87:1304.0 88:702.0 89:17656.0 90:1578.0 91:1561.0 92:44.0 93:48.0 94:67.0 95:185.0 96:118.0 97:930.0 98:403.0 99:1300.0 100:12235.0 101:6644.0 102:4796.0 103:19766.0 104:2141.0 105:2651.0 106:474.0 107:129.0 108:27.0 109:86.0 110:139.0 |  |  |  | 14547 | 10712 | 21485 | 18371 | 17444 | 14675 | 7942 | 12936 | 9319 | 7874 | 16697 | 16453 | 8627 | 8961 | 9517 | 7932 | 2792 | 15426 | 13177 | 13952 | 11893 | 21670 | 11192 | 11482 | 12989 | 15764 | 7545 | 6839 | 9202 | 8497 | 14729 | 11626 | 14464 | 3321 | 10979 | 12510 | 18520 | 7441 | 7756 | 12047 | 7010 | 11017 | 4295 | 11665.74418604651 | 678.8127705867455 | 7046 | 5372 | 4465 | 2804 | 2122 | 4156 | 1237 | 6688 | 3380 | 2451 | 7606 | 1329 | 4054.666666666667 | 640.2135691637707 | 7611.077519379845 | 5.394469420273035e-07 | 287.7115468442908 |  |  | *** | 210286
199794 | 681176 | 361 | 199794 | 85:681.0 86:319.0 87:427.0 88:365.0 89:5211.0 90:455.0 91:548.0 92:74.0 93:47.0 94:60.0 95:82.0 96:148.0 97:213.0 98:132.0 99:488.0 100:978.0 101:1557.0 102:964.0 103:8073.0 104:888.0 105:983.0 106:119.0 107:79.0 108:43.0 109:226.0 110:222.0 111:331.0 112 |  |  |  | 96466 | 53912 | 80587 | 73620 | 112150 | 80620 | 50004 | 52176 | 56189 | 55501 | 40296 | 88606 | 44578 | 54495 | 129063 | 68451 | 63649 | 62564 | 53312 | 73927 | 56711 | 144320 | 42119 | 52481 | 103561 | 64897 | 43833 | 64172 | 71388 | 90993 | 107200 | 60584 | 36856 | 64536 | 91399 | 69147 | 53599 | 69094 | 63423 | 72474 | 39721 | 43014 | 38042 | 68226.27906976744 | 3727.703584467197 | 28092 | 17017 | 20720 | 30841 | 49094 | 32603 | 15394 | 22264 | 10270 | 17857 | 30854 | 15078 | 24173.66666666667 | 3085.067455019453 | 44052.61240310076 | 1.500365796635994e-07 | 282.2338870248649 |  |  | *** | 199794
maltose | 946608 | 361 | 231911 | 85:7049.0 86:5988.0 87:549.0 88:4620.0 89:85686.0 90:7599.0 91:4229.0 92:860.0 93:61.0 94:1027.0 95:1526.0 96:1691.0 97:9033.0 98:2204.0 99:8184.0 100:23851.0 101:26724.0 102:18429.0 103:182661.0 104:18895.0 105:36802.0 106:4552.0 107:1807.0 108:452.0 109 | 6255 | C01971 |  | 3577 | 3641 | 1449 | 2202 | 397 | 813 | 3214 | 2170 | 1889 | 2041 | 2986 | 3433 | 2256 | 791 | 5170 | 486 | 2215 | 628 | 1687 | 1110 | 869 | 9025 | 392 | 1622 | 3243 | 1372 | 747 | 1211 | 650 | 2315 | 7094 | 1525 | 617 | 1975 | 2170 | 792 | 1554 | 3548 | 7074 | 1505 | 34350 | 694 | 442 | 2952.116279069768 | 801.4317049134153 | 1362 | 815 | 1382 | 576 | 1335 | 951 | 864 | 1154 | 844 | 848 | 1758 | 1077 | 1080.5 | 95.26585607306184 | 1871.616279069768 | 0.2260838333614447 | 273.2176102794787 |  |  |  | maltose
228143 | 673081 | 187 | 228143 | 86:985.0 87:23376.0 88:5544.0 89:20363.0 90:963.0 91:635.0 92:630.0 93:3002.0 94:932.0 95:1382.0 96:2427.0 97:3160.0 98:4245.0 99:176.0 100:3516.0 101:3617.0 103:5684.0 104:1914.0 105:120.0 106:3101.0 107:2432.0 108:1036.0 110:3246.0 111:880.0 112:524.0 1 |  |  |  | 4134 | 646 | 1150 | 3434 | 4452 | 2215 | 2630 | 595 | 2968 | 2885 | 405 | 1222 | 3043 | 2787 | 4226 | 3195 | 2733 | 3532 | 2951 | 2971 | 897 | 4983 | 878 | 2567 | 3801 | 2707 | 2787 | 2690 | 3124 | 3710 | 4813 | 2335 | 3938 | 955 | 3768 | 2966 | 3110 | 761 | 3180 | 1003 | 703 | 904 | 1858 | 2572.372093023256 | 192.481493043309 | 703 | 828 | 687 | 713 | 1970 | 1223 | 940 | 932 | 1254 | 744 | 686 | 852 | 961 | 107.6358901504737 | 1611.372093023256 | 6.36675473893558e-05 | 267.676596568497 |  |  | *** | 228143
oleic acid | 778858 | 339 | 199610 | 85:369.0 86:112.0 87:70.0 88:45.0 89:228.0 90:40.0 91:137.0 92:28.0 93:420.0 94:192.0 95:1135.0 96:1726.0 97:1126.0 98:1312.0 99:276.0 100:8.0 101:70.0 102:12.0 103:12.0 104:9.0 105:212.0 106:36.0 107:253.0 108:109.0 109:502.0 110:646.0 111:392.0 112:214. | 445639 | C01712 |  | 45798 | 8347 | 21017 | 10125 | 28310 | 36779 | 13846 | 5764 | 29547 | 29140 | 11869 | 18164 | 25438 | 22819 | 51487 | 32660 | 4683 | 11286 | 66262 | 16038 | 52130 | 27108 | 22995 | 16960 | 32356 | 11013 | 9128 | 24480 | 27983 | 23555 | 52247 | 23246 | 22317 | 11833 | 18113 | 25268 | 7147 | 15048 | 14109 | 12549 | 8513 | 13380 | 44349 | 23376.88372093023 | 2188.765684263235 | 8591 | 3879 | 18253 | 6982 | 11575 | 11911 | 4236 | 9206 | 6721 | 7829 | 8861 | 8002 | 8837.166666666666 | 1105.040667243802 | 14539.71705426357 | 0.001095691811413936 | 264.5291709740705 |  |  | *** | oleic acid
199777 | 675254 | 217 | 199777 | 85:258.0 86:162.0 87:355.0 88:172.0 89:3086.0 90:239.0 91:378.0 92:6.0 93:40.0 94:24.0 95:35.0 96:74.0 97:108.0 98:80.0 99:236.0 100:522.0 101:931.0 102:431.0 103:5496.0 104:522.0 105:624.0 106:60.0 107:16.0 108:21.0 109:202.0 110:186.0 111:194.0 112:105. |  |  |  | 394628 | 268438 | 306845 | 298288 | 407294 | 330501 | 226300 | 271382 | 249424 | 247204 | 224778 | 328972 | 232778 | 265742 | 475435 | 264399 | 243865 | 290541 | 229548 | 276594 | 224417 | 543481 | 235439 | 273723 | 371360 | 234730 | 209575 | 238731 | 279508 | 319768 | 437823 | 317908 | 192192 | 249301 | 338923 | 357340 | 243171 | 251221 | 269467 | 327115 | 175960 | 246906 | 151272 | 286564.8139534884 | 11932.00362970658 | 140069 | 89365 | 101459 | 119874 | 191297 | 139518 | 69570 | 134852 | 58193 | 80339 | 170933 | 74848 | 114193.0833333333 | 12165.01574589419 | 172371.7306201551 | 1.442704689775281e-09 | 250.9476104756681 |  |  | *** | 199777
241310 | 782338 | 373 | 241310 | 85:19122.0 86:6088.0 87:18352.0 88:5495.0 89:43110.0 90:4339.0 91:10523.0 92:1791.0 93:1311.0 94:3258.0 95:4112.0 96:5450.0 97:2870.0 98:4956.0 99:9390.0 100:9038.0 101:11585.0 102:4929.0 103:247151.0 104:23225.0 105:14276.0 106:1497.0 107:1610.0 108:3532 |  |  |  | 3670 | 1392 | 1592 | 1866 | 1749 | 2017 | 1234 | 1168 | 1340 | 1390 | 1547 | 1890 | 1086 | 1230 | 2142 | 1865 | 1364 | 1358 | 1178 | 1403 | 1132 | 2263 | 2145 | 1546 | 2073 | 1256 | 1098 | 1353 | 1270 | 2141 | 2570 | 1109 | 1370 | 1074 | 2018 | 1606 | 1259 | 967 | 747 | 2026 | 579 | 1398 | 760 | 1540.488372093023 | 84.75951500791906 | 917 | 408 | 538 | 588 | 1163 | 1086 | 330 | 676 | 285 | 418 | 835 | 199 | 620.25 | 91.97480921590994 | 920.2383720930231 | 1.259784297574049e-06 | 248.3657189992782 |  |  | *** | 241310
270003 | 736904 | 217 | 270003 | 85:285.0 86:190.0 87:108.0 89:1156.0 90:261.0 91:205.0 92:208.0 93:119.0 98:490.0 100:51.0 101:119.0 103:4850.0 105:775.0 107:1420.0 109:203.0 111:491.0 114:565.0 115:35.0 116:106.0 117:2963.0 118:968.0 120:17.0 122:251.0 123:8.0 124:158.0 125:71.0 128:21 |  |  |  | 6931 | 3569 | 7852 | 6164 | 10924 | 6360 | 4741 | 3375 | 4544 | 5528 | 2558 | 8862 | 5261 | 4968 | 11270 | 5288 | 6612 | 4292 | 4209 | 6884 | 4540 | 10784 | 2504 | 4287 | 9749 | 7631 | 3551 | 6507 | 6270 | 7803 | 8201 | 5298 | 5635 | 5704 | 7728 | 6777 | 3844 | 6241 | 5095 | 4792 | 3556 | 3685 | 3005 | 5892.53488372093 | 336.9492821916623 | 2234 | 1360 | 2785 | 2741 | 5261 | 2954 | 2266 | 2484 | 1380 | 1847 | 2213 | 1597 | 2426.833333333333 | 300.3565768088378 | 3465.701550387597 | 2.769487270586929e-06 | 242.8075633701365 |  |  | *** | 270003
213143 | 873684 | 446 | 213143 | 85:26.0 86:205.0 87:191.0 89:2243.0 90:135.0 96:2511.0 97:614.0 98:1348.0 99:317.0 100:159.0 101:629.0 102:344.0 103:10626.0 104:1494.0 105:696.0 106:79.0 107:434.0 108:47.0 110:30.0 111:90.0 112:92.0 113:303.0 114:378.0 115:57.0 116:430.0 117:2790.0 118: |  |  |  | 3293 | 2574 | 2301 | 3629 | 2333 | 2801 | 1659 | 4004 | 2110 | 2674 | 2934 | 2673 | 1736 | 2004 | 2722 | 3152 | 2540 | 3101 | 2189 | 2672 | 2336 | 3338 | 1960 | 3361 | 2075 | 1810 | 2053 | 1943 | 2582 | 2854 | 2518 | 2742 | 1937 | 1975 | 3985 | 2606 | 2981 | 2139 | 1801 | 2811 | 1933 | 2757 | 1370 | 2534.139534883721 | 93.29804692914102 | 1672 | 1304 | 897 | 970 | 1326 | 1740 | 665 | 1036 | 489 | 640 | 1759 | 628 | 1093.833333333333 | 132.6431664125959 | 1440.306201550388 | 5.646571402207851e-10 | 231.6751060384325 |  |  | *** | 213143
208655 | 688305 | 217 | 208655 | 85:150.0 86:39.0 87:52.0 88:18.0 89:590.0 90:66.0 91:259.0 92:185.0 93:3.0 95:3.0 96:1.0 97:15.0 98:3.0 99:90.0 100:176.0 101:378.0 102:55.0 103:855.0 104:56.0 105:111.0 106:4.0 107:28.0 108:1.0 109:5.0 110:21.0 111:75.0 112:5.0 113:101.0 114:24.0 115:125 |  |  |  | 5269 | 6034 | 6485 | 4636 | 7276 | 5255 | 2598 | 6214 | 4923 | 2867 | 4990 | 2948 | 3575 | 3718 | 3464 | 3127 | 3244 | 5379 | 4122 | 2725 | 4559 | 4608 | 5361 | 6268 | 1636 | 2912 | 5012 | 2337 | 2960 | 2106 | 9517 | 5642 | 2029 | 2851 | 3419 | 5627 | 5095 | 2301 | 3564 | 6861 | 2427 | 5931 | 1630 | 4267.488372093023 | 264.7468616325585 | 2957 | 1629 | 1546 | 1575 | 2705 | 1828 | 958 | 2298 | 1279 | 1474 | 3542 | 1670 | 1955.083333333333 | 220.1992712650443 | 2312.40503875969 | 4.13331264109027e-05 | 218.276546034339 |  |  | *** | 208655
212208 | 705463 | 147 | 212208 | 85:53.0 87:64.0 88:95.0 89:324.0 90:21.0 91:54.0 93:13.0 95:6.0 101:188.0 102:23.0 103:2943.0 104:240.0 105:131.0 113:6.0 115:90.0 116:57.0 117:1041.0 118:48.0 119:44.0 122:4.0 124:3.0 125:1.0 127:1.0 129:228.0 131:398.0 133:926.0 134:93.0 135:43.0 141:19 |  |  |  | 11388 | 10418 | 14775 | 11451 | 12637 | 8705 | 9301 | 10320 | 10403 | 10737 | 5843 | 11926 | 12146 | 2198 | 11966 | 269 | 9221 | 533 | 11347 | 2373 | 2244 | 14733 | 9647 | 9328 | 1618 | 10634 | 2258 | 8686 | 10782 | 10290 | 12717 | 10128 | 10023 | 12654 | 1628 | 11644 | 10195 | 11598 | 12713 | 11643 | 12097 | 5364 | 1703 | 8890.32558139535 | 635.7724583045194 | 1702 | 7605 | 2227 | 9957 | 9623 | 1393 | 7412 | 427 | 1161 | 4158 | 3704 | 472 | 4153.416666666667 | 1030.0989321297 | 4736.908914728682 | 0.0007430576999922853 | 214.048488145792 |  |  | *** | 212208
227352 | 927021 | 132 | 227352 | 85:89.0 86:554.0 89:5802.0 90:513.0 91:6510.0 92:665.0 93:270.0 95:49.0 97:43.0 98:204.0 99:336.0 100:858.0 101:1235.0 102:999.0 103:23328.0 104:3190.0 105:6018.0 106:566.0 111:150.0 112:153.0 113:307.0 114:377.0 115:804.0 116:635.0 117:10787.0 118:1182.0 |  |  |  | 5458 | 3170 | 4184 | 4211 | 5491 | 3989 | 2149 | 2351 | 3485 | 3174 | 2544 | 4579 | 2598 | 2827 | 4611 | 3515 | 3917 | 2437 | 2229 | 3791 | 3353 | 6780 | 3071 | 2419 | 4914 | 2367 | 2209 | 3241 | 4003 | 3984 | 5233 | 2315 | 3228 | 2811 | 4210 | 3110 | 2920 | 3663 | 3056 | 3126 | 2276 | 2876 | 1873 | 3436 | 163.4722520403813 | 2021 | 1323 | 1636 | 1758 | 2557 | 1796 | 969 | 1911 | 1331 | 1483 | 1524 | 1106 | 1617.916666666667 | 124.9662656499948 | 1818.083333333333 | 5.125946201344281e-07 | 212.3718774143703 |  |  | *** | 227352
226853 | 966330 | 272 | 226853 | 85:9.0 89:920.0 93:71.0 94:64.0 95:121.0 98:361.0 100:384.0 101:188.0 102:907.0 103:3691.0 104:1.0 105:75.0 106:125.0 110:67.0 112:70.0 114:164.0 115:90.0 116:1597.0 117:993.0 118:44.0 123:11.0 124:30.0 128:685.0 129:793.0 132:78.0 133:652.0 136:18.0 138: |  |  |  | 4459 | 540 | 2939 | 3974 | 1938 | 3873 | 2033 | 970 | 877 | 3136 | 2737 | 3033 | 1849 | 298 | 5202 | 2309 | 3758 | 3117 | 2343 | 3011 | 2461 | 1585 | 196 | 3537 | 4171 | 2295 | 2732 | 3601 | 2834 | 5121 | 923 | 3577 | 663 | 2948 | 667 | 3086 | 1907 | 3052 | 221 | 1564 | 2216 | 2348 | 551 | 2433.767441860465 | 200.6521643818143 | 246 | 934 | 753 | 1234 | 3125 | 1769 | 845 | 775 | 735 | 755 | 2144 | 441 | 1146.333333333333 | 236.2070654696378 | 1287.434108527132 | 0.002268030067418074 | 212.3088783245535 |  |  | *** | 226853
281329 | 705694 | 245 | 281329 | 90:90.0 93:179.0 98:625.0 100:6.0 101:159.0 102:283.0 103:315.0 109:25.0 110:8.0 114:181.0 116:17.0 117:1116.0 128:101.0 129:585.0 133:77.0 140:149.0 142:308.0 143:102.0 144:139.0 145:8.0 154:292.0 155:20.0 156:208.0 160:270.0 162:20.0 166:40.0 168:46.0 1 |  |  |  | 800 | 1280 | 742 | 1531 | 1125 | 740 | 2221 | 3147 | 1320 | 2712 | 897 | 1309 | 579 | 1397 | 2326 | 1391 | 1139 | 1651 | 1430 | 1763 | 808 | 1860 | 1173 | 1945 | 927 | 1287 | 1042 | 407 | 998 | 1075 | 1917 | 2003 | 1014 | 1644 | 1858 | 1067 | 2342 | 1264 | 340 | 2190 | 863 | 160 | 556 | 1354.418604651163 | 98.82308113471863 | 447 | 537 | 521 | 683 | 1942 | 924 | 337 | 606 | 282 | 417 | 351 | 756 | 650.25 | 129.2842255839764 | 704.1686046511627 | 0.000882367703253247 | 208.2919807229777 |  |  | *** | 281329
213193 | 865396 | 446 | 213193 | 85:72.0 87:165.0 88:197.0 89:799.0 90:137.0 91:1235.0 92:187.0 93:1188.0 94:627.0 95:1138.0 96:953.0 97:242.0 98:622.0 99:150.0 100:114.0 101:240.0 102:153.0 103:4178.0 104:483.0 105:439.0 106:136.0 107:538.0 108:645.0 109:232.0 110:350.0 111:26.0 112:30. |  |  |  | 1622 | 1143 | 975 | 1929 | 1135 | 1470 | 771 | 1952 | 960 | 1422 | 1467 | 1431 | 1003 | 964 | 1543 | 1790 | 1471 | 1613 | 999 | 1377 | 1192 | 1661 | 981 | 1514 | 1336 | 867 | 1054 | 1173 | 1377 | 1779 | 1085 | 1709 | 822 | 1103 | 2007 | 1451 | 1406 | 1064 | 614 | 1324 | 965 | 1459 | 698 | 1294.837209302326 | 53.24911606098604 | 715 | 622 | 634 | 502 | 919 | 806 | 372 | 598 | 441 | 481 | 884 | 507 | 623.4166666666666 | 50.96202661360377 | 671.420542635659 | 4.076737927427848e-08 | 207.7001271438031 |  |  | *** | 213193
gluconic acid | 693140 | 333 | 211990 | 85:147.0 86:29.0 87:286.0 88:169.0 89:1308.0 90:102.0 91:62.0 92:5.0 93:16.0 94:2.0 95:55.0 97:203.0 98:21.0 99:231.0 100:43.0 101:856.0 102:1031.0 103:7085.0 104:680.0 105:353.0 106:22.0 107:72.0 108:5.0 109:8.0 111:89.0 113:194.0 114:12.0 115:293.0 116: | 604 | C00257 |  | 5186 | 4605 | 8519 | 3696 | 8854 | 5081 | 4238 | 4756 | 3780 | 5624 | 3904 | 5325 | 4822 | 5435 | 7000 | 4024 | 4519 | 4191 | 4846 | 4978 | 4852 | 9049 | 4404 | 4336 | 7046 | 4406 | 4437 | 5003 | 5538 | 6273 | 7726 | 6668 | 4412 | 4896 | 5483 | 9165 | 4586 | 3948 | 4070 | 5663 | 4216 | 5990 | 3077 | 5316.906976744186 | 229.0237062931375 | 1493 | 2363 | 2702 | 2845 | 3671 | 2376 | 1336 | 3126 | 1410 | 3468 | 2863 | 3191 | 2570.333333333333 | 230.3003418902098 | 2746.573643410853 | 1.389088828414757e-07 | 206.8567102870258 |  |  | *** | gluconic acid
223505 | 810335 | 246 | 223505 | 85:410.0 86:539.0 87:104.0 88:90.0 89:1966.0 90:67.0 91:122.0 94:67.0 95:442.0 97:23.0 98:553.0 99:201.0 100:577.0 101:245.0 102:214.0 103:7628.0 104:619.0 105:245.0 107:64.0 108:135.0 109:24.0 110:79.0 111:132.0 112:118.0 113:243.0 114:1755.0 115:281.0 1 |  |  |  | 6046 | 4585 | 5430 | 4815 | 5727 | 4548 | 3921 | 6526 | 4345 | 6272 | 3743 | 3169 | 2136 | 2612 | 3873 | 5802 | 2114 | 5461 | 5063 | 3955 | 4071 | 4693 | 3533 | 6460 | 2304 | 3282 | 3181 | 1989 | 2675 | 4172 | 4907 | 4160 | 3177 | 1702 | 4297 | 5332 | 3844 | 2678 | 2160 | 6084 | 3772 | 3768 | 1927 | 4053.744186046511 | 207.1909821711577 | 3116 | 2626 | 2405 | 1574 | 1105 | 3701 | 1014 | 1766 | 1395 | 1142 | 2516 | 1287 | 1970.583333333333 | 254.8118871904043 | 2083.160852713178 | 6.498052241379964e-06 | 205.7129032543585 |  |  | *** | 223505
228315 | 553878 | 299 | 228315 | 85:2560.0 86:3617.0 87:1255.0 88:4095.0 89:2700.0 90:630.0 91:1258.0 92:891.0 93:257.0 94:1650.0 95:1190.0 96:2228.0 97:3360.0 98:32732.0 99:3389.0 100:14733.0 101:2479.0 102:13323.0 103:4309.0 104:2161.0 105:4973.0 106:1162.0 107:646.0 108:2569.0 109:153 |  |  |  | 2001 | 3500 | 4492 | 2325 | 1062 | 1744 | 4245 | 3481 | 21711 | 1831 | 4876 | 887 | 1331 | 1493 | 1408 | 1476 | 901 | 3422 | 3164 | 1073 | 1757 | 1381 | 2536 | 3367 | 373 | 941 | 3143 | 1639 | 1310 | 780 | 1763 | 2040 | 3514 | 894 | 1859 | 1189 | 2940 | 776 | 2207 | 69304 | 1679 | 9797 | 436 | 4233.674418604651 | 1633.104162868505 | 1980 | 3534 | 2627 | 1171 | 319 | 1225 | 1446 | 1490 | 2471 | 1808 | 3002 | 3642 | 2059.583333333333 | 293.1490327961068 | 2174.091085271317 | 0.4884076034075135 | 205.55975328042 |  |  |  | 228315
fructose | 642325 | 307 | 199181 | 85:1220.0 86:424.0 87:606.0 88:397.0 89:7181.0 90:605.0 91:361.0 92:86.0 93:302.0 94:331.0 95:2557.0 96:951.0 97:766.0 98:230.0 99:313.0 100:934.0 101:1387.0 102:438.0 103:30670.0 104:2909.0 105:2036.0 106:145.0 107:150.0 108:68.0 109:659.0 110:432.0 111: | 5984 | C00095 |  | 392774 | 465333 | 529658 | 470991 | 572347 | 692781 | 474261 | 651054 | 432271 | 572137 | 359718 | 644208 | 464651 | 561018 | 769540 | 499379 | 454758 | 589449 | 486345 | 462320 | 494916 | 801704 | 494023 | 529599 | 492035 | 410134 | 393062 | 315842 | 508478 | 657036 | 594368 | 689762 | 344714 | 525656 | 686024 | 715465 | 478558 | 621399 | 405608 | 476679 | 451003 | 284971 | 354618 | 517922.0232558139 | 18548.6549098608 | 256882 | 210083 | 169690 | 261775 | 473544 | 234929 | 131175 | 416623 | 106726 | 193376 | 410758 | 195074 | 255052.9166666667 | 34000.6760359391 | 262869.1065891472 | 1.572442539430177e-08 | 203.064536577206 |  |  | *** | fructose
222049 | 701919 | 117 | 222049 | 87:1894.0 88:1875.0 89:1291.0 90:22.0 101:4120.0 102:259.0 103:6026.0 104:788.0 105:78.0 106:64.0 109:81.0 115:108.0 116:7071.0 117:13582.0 118:1642.0 119:511.0 120:17.0 126:210.0 130:284.0 132:84.0 133:160.0 134:406.0 135:39.0 136:63.0 139:21.0 145:220.0 |  |  |  | 11932 | 10267 | 5076 | 9963 | 13328 | 12513 | 7171 | 10764 | 8848 | 7390 | 6791 | 7347 | 7134 | 4141 | 8799 | 8510 | 3645 | 10806 | 8306 | 6408 | 8140 | 13949 | 9516 | 10056 | 7733 | 4302 | 4825 | 2569 | 8940 | 7111 | 14729 | 16024 | 21161 | 5328 | 21743 | 11057 | 8488 | 4093 | 9050 | 11978 | 5535 | 9139 | 4722 | 9054.116279069767 | 634.4677282003304 | 6394 | 5127 | 4288 | 3585 | 5139 | 5182 | 3310 | 4032 | 5183 | 4320 | 4895 | 5055 | 4709.166666666667 | 243.226943325767 | 4344.9496124031 | 0.0007587190876558381 | 192.2657854341483 |  |  | *** | 222049
228147 | 699907 | 261 | 228147 | 85:5481.0 86:12568.0 87:5666.0 88:5399.0 89:79280.0 90:7883.0 91:4382.0 92:559.0 93:593.0 94:1678.0 95:2237.0 96:1986.0 97:4708.0 98:4101.0 99:8156.0 100:17639.0 101:23048.0 102:9811.0 103:108321.0 104:11929.0 105:38969.0 106:4444.0 107:2337.0 108:903.0 1 |  |  |  | 1117 | 770 | 798 | 965 | 1458 | 1126 | 757 | 867 | 893 | 652 | 305 | 626 | 734 | 713 | 958 | 1205 | 916 | 676 | 846 | 811 | 759 | 1474 | 860 | 1317 | 787 | 705 | 745 | 739 | 1047 | 1148 | 1292 | 1178 | 912 | 886 | 1142 | 1221 | 796 | 670 | 627 | 1071 | 765 | 759 | 424 | 895.7441860465116 | 38.71134471092524 | 522 | 530 | 416 | 466 | 857 | 682 | 263 | 496 | 397 | 359 | 513 | 216 | 476.4166666666667 | 50.0753157501253 | 419.3275193798449 | 1.81319328162023e-06 | 188.0169710085383 |  |  | *** | 228147
palmitoleic acid | 706298 | 129 | 203265 | 85:634.0 86:251.0 87:101.0 88:73.0 89:389.0 90:24.0 91:638.0 92:138.0 93:970.0 94:446.0 95:2278.0 96:2964.0 97:1797.0 98:2172.0 99:487.0 100:94.0 101:210.0 102:34.0 105:514.0 106:53.0 107:496.0 108:235.0 109:940.0 110:1010.0 111:563.0 112:318.0 113:92.0 1 | 445638 | C08362 |  | 3088 | 6068 | 12923 | 6988 | 19575 | 17725 | 8853 | 5482 | 15653 | 13110 | 7510 | 2466 | 11125 | 13609 | 19507 | 14441 | 4819 | 6233 | 21272 | 9134 | 25275 | 11123 | 9287 | 10714 | 15560 | 9093 | 5793 | 10235 | 2277 | 10424 | 30060 | 11729 | 29892 | 8776 | 9577 | 11907 | 5439 | 8650 | 9061 | 7222 | 6254 | 3901 | 18375 | 11400.11627906977 | 1017.940614359434 | 6676 | 3395 | 20935 | 2622 | 7632 | 7505 | 2888 | 6030 | 3993 | 5569 | 6131 | 2050 | 6285.5 | 1443.841023629386 | 5114.616279069767 | 0.01711865602791359 | 181.3716693830207 |  |  | *** | palmitoleic acid
228911 | 632392 | 307 | 228911 | 85:134.0 87:13.0 88:56.0 89:3196.0 90:46.0 93:48.0 95:314.0 96:12.0 98:113.0 100:726.0 101:388.0 102:81.0 103:24235.0 104:2031.0 105:332.0 106:7.0 107:1059.0 108:4.0 110:77.0 113:162.0 114:680.0 116:88.0 117:1522.0 118:355.0 123:47.0 124:228.0 126:12.0 12 |  |  |  | 21624 | 35328 | 41785 | 34109 | 36776 | 73768 | 44246 | 72731 | 31149 | 60672 | 25315 | 58366 | 38326 | 50549 | 67982 | 44428 | 38871 | 59294 | 43838 | 37940 | 50792 | 75175 | 46149 | 47470 | 33154 | 31804 | 31493 | 20787 | 44638 | 65195 | 51581 | 84792 | 26100 | 50679 | 67144 | 76292 | 40736 | 66681 | 23500 | 34914 | 55468 | 14957 | 35753 | 46333.74418604651 | 2613.537533640686 | 21430 | 22530 | 12799 | 26283 | 48540 | 20297 | 10342 | 48966 | 8405 | 20903 | 43716 | 22487 | 25558.16666666667 | 4063.769035046409 | 20775.57751937984 | 0.0003249547297206038 | 181.2874326642359 |  |  | *** | 228911
281216 | 605436 | 144 | 281216 | 86:300.0 87:176.0 88:801.0 89:9536.0 90:728.0 91:534.0 94:275.0 95:17.0 96:3.0 97:309.0 98:13620.0 99:1973.0 100:5251.0 101:2519.0 102:2159.0 103:14686.0 104:1725.0 105:690.0 106:208.0 108:82.0 109:1.0 110:2960.0 111:175.0 112:225.0 113:354.0 114:1468.0 1 |  |  |  | 6160 | 9059 | 3709 | 5153 | 2188 | 5157 | 2020 | 8565 | 7637 | 2445 | 10533 | 1052 | 6475 | 4246 | 1100 | 3979 | 747 | 9248 | 6768 | 904 | 3664 | 3292 | 9796 | 9512 | 1534 | 2157 | 6947 | 1495 | 2285 | 881 | 7800 | 6996 | 7996 | 667 | 2129 | 6259 | 6644 | 1008 | 5582 | 8820 | 1721 | 12609 | 1865 | 4855.906976744186 | 500.7614189277651 | 4418 | 3530 | 2704 | 1085 | 513 | 2019 | 931 | 3160 | 3025 | 1247 | 6908 | 2746 | 2690.5 | 513.1711200806691 | 2165.406976744186 | 0.03320650168103301 | 180.4834408750859 |  |  | *** | 281216
3,6-anhydrogalactose | 589230 | 231 | 200841 | 85:115.0 86:62.0 87:96.0 88:57.0 89:1274.0 90:100.0 93:35.0 94:14.0 95:609.0 96:59.0 97:26.0 98:115.0 99:54.0 100:125.0 101:657.0 102:73.0 103:1380.0 104:89.0 105:477.0 106:32.0 108:18.0 110:27.0 111:52.0 112:29.0 113:14.0 114:9.0 115:59.0 116:117.0 117:9 | 441040 | C06474 |  | 3157 | 2745 | 3217 | 2740 | 3245 | 4448 | 2392 | 3883 | 2090 | 3279 | 2380 | 3358 | 2317 | 2389 | 4735 | 3230 | 2816 | 3152 | 2412 | 2359 | 2625 | 4637 | 3408 | 3517 | 2892 | 2069 | 2045 | 2200 | 2666 | 3535 | 3285 | 3807 | 1933 | 2639 | 4022 | 3937 | 2383 | 3188 | 1801 | 2210 | 2684 | 1823 | 1922 | 2920.279069767442 | 116.4805618581393 | 1611 | 1644 | 1333 | 1919 | 2513 | 1532 | 962 | 2173 | 869 | 1705 | 2330 | 1331 | 1660.166666666667 | 147.0899453402646 | 1260.112403100775 | 1.769034160770857e-06 | 175.9027649694273 |  |  | *** | 3,6-anhydrogalactose
281257 | 612012 | 231 | 281257 | 86:290.0 89:1426.0 90:263.0 94:51.0 100:272.0 101:848.0 102:77.0 103:636.0 105:154.0 112:151.0 114:150.0 115:5.0 116:926.0 117:2955.0 118:256.0 119:221.0 128:448.0 129:771.0 131:190.0 133:1889.0 142:127.0 143:207.0 147:6379.0 148:475.0 149:917.0 150:67.0 |  |  |  | 7342 | 6512 | 6382 | 9020 | 10210 | 9531 | 6444 | 9546 | 5174 | 7159 | 1673 | 7277 | 6858 | 6608 | 8892 | 6735 | 6930 | 7316 | 5338 | 7161 | 6555 | 10316 | 7022 | 8053 | 6950 | 5235 | 6336 | 5605 | 6411 | 8503 | 7349 | 10824 | 6156 | 8329 | 8626 | 9932 | 5960 | 7250 | 5235 | 7608 | 6293 | 6452 | 4061 | 7143.46511627907 | 267.1659521945139 | 3905 | 4466 | 3828 | 4160 | 6574 | 4456 | 2440 | 5468 | 3112 | 2962 | 4877 | 2804 | 4087.666666666667 | 344.6200000644831 | 3055.798449612403 | 6.102872944875318e-07 | 174.7565469203067 |  |  | *** | 281257
225555 | 685994 | 266 | 225555 | 87:1.0 91:196.0 92:187.0 93:814.0 99:33.0 104:49.0 107:1850.0 109:28.0 110:668.0 111:52.0 115:16.0 116:139.0 121:353.0 122:42.0 123:121.0 124:10.0 125:5.0 132:6.0 133:179.0 136:404.0 140:147.0 141:8.0 144:66.0 145:13.0 149:3673.0 150:435.0 151:20.0 153:1. |  |  |  | 3533 | 4565 | 11100 | 3208 | 2965 | 4697 | 21205 | . | 4319 | 2254 | . | 257 | 874 | 4767 | 25955 | 6306 | 5744 | 15485 | 7996 | 967 | 7768 | 2209 | 2953 |  | 9954 | 2922 | 1719 | 1567 | 13068 | 3776 | 5333 | 2198 | 7644 | 11799 | 20376 | 2059 | 15025 | 16994 | 10418 | 7701 | 21297 |  | 3442 | 7600.48717948718 | 1059.277009994344 | 2631 | 3653 | 3844 | 5394 | 8097 | 4824 | 1745 | 3676 | 1598 | 6658 |  | 7079 | 4472.636363636364 | 649.9937100776405 | 3127.850815850816 | 0.1312778660497474 | 169.9330453349844 |  |  |  | 225555
231713 | 692917 | 244 | 231713 | 85:646.0 86:747.0 87:421.0 89:4441.0 90:420.0 91:31.0 93:298.0 94:223.0 96:715.0 100:1059.0 101:2161.0 102:1020.0 103:7719.0 104:826.0 105:1257.0 110:857.0 111:174.0 112:1080.0 113:723.0 114:551.0 115:228.0 116:802.0 117:5763.0 118:551.0 119:588.0 121:23. |  |  |  | 605 | 512 | 404 | 628 | 841 | 794 | 353 | 667 | 651 | 214 | 181 | 317 | 387 | 383 | 480 | 572 | 405 | 513 | 403 | 452 | 496 | 573 | 587 | 383 | 557 | 386 | 430 | 396 | 448 | 606 | 753 | 690 | 561 | 378 | 634 | 675 | 419 | 449 | 485 | 403 | 258 | 386 | 143 | 485.0697674418604 | 23.87906489255133 | 452 | 260 | 118 | 320 | 350 | 342 | 117 | 276 | 791 | 51 | 286 | 102 | 288.75 | 57.57210564574522 | 196.3197674418604 | 0.0006711988235506366 | 167.989529849995 |  |  | *** | 231713
213304 | 930533 | 156 | 213304 | 89:248.0 90:69.0 91:28.0 95:440.0 96:188.0 97:97.0 103:1343.0 107:183.0 108:73.0 111:54.0 112:34.0 113:20.0 114:83.0 115:22.0 116:156.0 117:597.0 118:64.0 121:10.0 125:11.0 126:11.0 127:38.0 128:186.0 129:151.0 130:24.0 137:20.0 140:34.0 142:177.0 143:76. |  |  |  | 2493 | 1348 | 2120 | 2006 | 2005 | 1937 | 1474 | 2201 | 1307 | 1998 | 1676 | 2090 | 1700 | 912 | 2283 | 2839 | 2386 | 1884 | 1572 | 2688 | 1971 | 2406 | 1158 | 2495 | 2598 | 1686 | 1749 | 1110 | 2464 | 3764 | 1700 | 1634 | 609 | 1793 | 3206 | 1900 | 2203 | 1625 | 1088 | 2010 | 975 | 2267 | 1102 | 1917.023255813953 | 95.71014223738712 | 904 | 1257 | 1148 | 1056 | 1734 | 1234 | 899 | 1126 | 863 | 908 | 1747 | 831 | 1142.25 | 90.90772252758022 | 774.7732558139535 | 0.0001362164080558508 | 167.8286938773433 |  |  | *** | 213304
glucuronic acid | 666743 | 333 | 216853 | 85:786.0 86:1669.0 88:197.0 89:11739.0 90:975.0 91:399.0 92:12.0 94:246.0 96:65.0 97:12.0 98:285.0 99:1033.0 100:2028.0 101:1406.0 102:3031.0 103:6488.0 104:821.0 105:6545.0 106:618.0 107:193.0 108:18.0 109:9.0 110:58.0 111:365.0 112:389.0 113:464.0 114:2 | 94715 | C00191 |  | 2586 | 1451 | 1821 | 1775 | 4412 | 1481 | 2035 | 2576 | 1861 | 1530 | 2910 | 3384 | 1365 | 2467 | 2593 | 2867 | 2405 | 2213 | 9106 | 2303 | 2963 | 2633 | 1004 | 1194 | 2765 | 7773 | 1707 | 2624 | 2345 | 2089 | 2636 | 6696 | 2193 | 2215 | 5318 | 2880 | 5566 | 1407 | 1711 | 3996 | 2608 | 3797 | 1048 | 2844.395348837209 | 263.5503300239669 | 1584 | 1300 | 1375 | 1753 | 2805 | 2218 | 947 | 1708 | 1017 | 1977 | 2022 | 1912 | 1718.166666666667 | 151.4124826392787 | 1126.228682170543 | 0.03103010100520773 | 165.5482791058614 |  |  | *** | glucuronic acid
227367 | 995564 | 217 | 227367 | 85:58.0 89:4129.0 90:254.0 93:320.0 95:134.0 97:144.0 99:157.0 100:270.0 101:500.0 102:964.0 103:15064.0 104:1382.0 105:1140.0 108:116.0 110:342.0 111:81.0 113:321.0 114:242.0 115:180.0 116:432.0 117:5133.0 118:812.0 119:990.0 121:50.0 124:122.0 128:231.0 |  |  |  | 618 | 795 | 663 | 648 | 1183 | 1027 | 678 | 518 | 544 | 589 | 434 | 822 | 591 | 328 | 827 | 1071 | 706 | 554 | 370 | 324 | 645 | 994 | 518 | 923 | 822 | 387 | 197 | 477 | 543 | 558 | 466 | 773 | 653 | 431 | 925 | 378 | 541 | 706 | 361 | 440 | 547 | 859 | 629 | 629.3720930232558 | 33.77636410501925 | 377 | 424 | 305 | 145 | 406 | 426 | 377 | 817 | 381 | 445 | 283 | 351 | 394.75 | 45.09503852975402 | 234.6220930232558 | 0.001182340828312093 | 159.4356157120344 |  |  | *** | 227367
sucrose | 913309 | 271 | 223525 | 89:358.0 95:80.0 99:163.0 100:35.0 101:375.0 102:178.0 103:6261.0 104:347.0 105:186.0 109:338.0 110:58.0 111:2.0 113:276.0 114:31.0 116:238.0 117:1417.0 118:41.0 119:193.0 128:70.0 129:5055.0 130:773.0 131:916.0 132:23.0 133:1123.0 134:19.0 135:273.0 139: | 5988 | C00089 |  | 564 | 1016 | 551 | 574 | 1201 | 706 | 17821 | 3375 | 344 | 862 | 254 | 948 | 319 | 576 | 434 | 1911 | 290 | 443 | 428 | 418 | 2834 | 565 | 1130 | 552 | 844 | 2273 | 457 | 1621 | 395 | 497 | 493 | 1428 | 5515 | 8452 | 1992 | 788 | 4593 | 130 | 607 | 632 | 419 | 777 | 273 | 1634.93023255814 | 455.8033097046427 | 540 | 392 | 1193 | 4893 | 590 | 1227 | 416 | 576 | 498 | 496 | 700 | 927 | 1037.333333333333 | 359.9142013358633 | 597.5968992248063 | 0.5040069054883247 | 157.6089555807975 |  |  |  | sucrose
236890 | 628019 | 217 | 236890 | 85:385.0 87:246.0 88:193.0 89:5272.0 90:307.0 91:499.0 93:570.0 94:323.0 98:1194.0 99:318.0 100:1950.0 101:1353.0 102:375.0 103:47613.0 104:4318.0 105:2249.0 106:100.0 107:265.0 110:4.0 111:214.0 112:46.0 113:414.0 114:1114.0 115:414.0 116:346.0 117:6041. |  |  |  | 12053 | 16383 | 19705 | 15523 | 17445 | 39503 | 62260 | 38097 | 14500 | 37963 | 13362 | 27624 | 29331 | 27469 | 32188 | 20334 | 18807 | 11378 | 19371 | 18439 | 22733 | 35085 | 43076 | 24977 | 17847 | 14836 | 16934 | 10750 | 123568 | 31991 | 23546 | 47748 | 31628 | 24597 | 32016 | 50981 | 20061 | 31165 | 14567 | 16405 | 29120 | 8877 | 16546 | 27460.20930232558 | 2905.527586036748 | 8966 | 10447 | 9633 | 12349 | 26360 | 8452 | 20093 | 28926 | 4756 | 51093 | 20886 | 9327 | 17607.33333333333 | 3771.56762346691 | 9852.875968992248 | 0.09904653040481937 | 155.9589336014857 |  |  |  | 236890
glucose | 657634 | 160 | 270055 | 85:487.0 86:788.0 87:442.0 88:970.0 89:33820.0 90:1191.0 91:2305.0 92:51.0 93:2409.0 94:26.0 95:157.0 96:7.0 97:251.0 98:169.0 99:1139.0 100:1384.0 101:2869.0 102:1535.0 103:36279.0 104:2465.0 105:12042.0 106:1148.0 107:3489.0 109:40.0 110:160.0 111:450.0 | 5793 | C00031 |  | 1227718 | 1435819 | 1745880 | 1765961 | 2204497 | 1652178 | 1453912 | 1604567 | 1402404 | 1548713 | 1427382 | 2080706 | 1461862 | 2652298 | 2152955 | 1502785 | 1762717 | 1539402 | 1460008 | 1716844 | 1383706 | 2022011 | 1370661 | 1576607 | 1946425 | 1487404 | 1386558 | 1704912 | 1507669 | 1851648 | 768967 | 1565260 | 1200680 | 1916713 | 1827356 | 1761139 | 1510052 | 1913687 | 2746732 | 1643233 | 1318799 | 1517477 | 974850 | 1644212.88372093 | 56649.76880783723 | 1201267 | 913741 | 1014609 | 1198312 | 1756284 | 1168748 | 698138 | 1317001 | 635854 | 849265 | 1186350 | 750819 | 1057532.333333333 | 90952.99235655255 | 586680.550387597 | 7.006750368290402e-06 | 155.4763700262842 |  |  | *** | glucose
heptadecanoic acid | 750645 | 117 | 200398 | 85:187.0 86:54.0 89:175.0 90:1.0 91:361.0 92:175.0 93:183.0 94:2.0 95:381.0 96:39.0 97:330.0 98:279.0 99:150.0 101:110.0 102:6.0 103:220.0 104:21.0 105:252.0 106:25.0 107:46.0 109:123.0 111:229.0 112:81.0 113:22.0 115:43.0 116:481.0 117:7486.0 118:650.0 1 | 10465 |  |  | 19566 | 15079 | 16491 | 12668 | 16024 | 20417 | 14265 | 12787 | 12748 | 19151 | 11912 | 16535 | 16420 | 19118 | 22193 | 18129 | 14651 | 13055 | 23432 | 17858 | 22540 | 19827 | 17166 | 18129 | 18357 | 12710 | 11395 | 15136 | 16099 | 20439 | 22754 | 13069 | 80302 | 13133 | 15359 | 17584 | 11098 | 16286 | 13544 | 16110 | 13996 | 15779 | 16876 | 17911.32558139535 | 1563.808927528296 | 11471 | 10799 | 14369 | 11419 | 14061 | 11174 | 8294 | 13594 | 9105 | 12823 | 9994 | 12458 | 11630.08333333333 | 554.0985507237336 | 6281.242248062013 | 0.04069097708938817 | 154.00857472843 |  |  | *** | heptadecanoic acid
inulobiose 2 | 930708 | 204 | 202729 | 85:237.0 86:20.0 87:272.0 88:85.0 89:393.0 90:32.0 95:252.0 97:84.0 98:3.0 99:228.0 100:11.0 101:1940.0 102:349.0 103:4140.0 104:440.0 105:154.0 109:112.0 110:2.0 111:110.0 113:329.0 114:20.0 115:439.0 116:1067.0 117:15381.0 118:1758.0 119:807.0 120:37.0 | 439552 | C01711 |  | 1898 | 1347 | 2086 | 1358 | 3878 | 1670 | 1171 | 1476 | 1170 | 1089 | 1249 | 1651 | 748 | 1240 | 2021 | 1846 | 1246 | 1360 | 1157 | 1296 | 1184 | 2013 | 1111 | 1727 | 1523 | 2280 | 1115 | 1406 | 1163 | 1879 | 2793 | 1699 | 1075 | 1375 | 1124 | 2769 | 1344 | 1178 | 1212 | 2563 | 1065 | 1211 | 692 | 1545.53488372093 | 92.32788811900328 | 1130 | 709 | 1257 | 1375 | 1825 | 1039 | 603 | 1179 | 589 | 789 | 785 | 823 | 1008.583333333333 | 105.5348182048719 | 536.951550387597 | 0.005193670152931015 | 153.2381938746688 |  |  | *** | inulobiose 2
leucine | 345953 | 158 | 199607 | 85:195.0 86:172.0 87:11.0 88:96.0 91:93.0 92:107.0 93:199.0 94:21.0 95:30.0 96:27.0 97:45.0 98:20.0 99:87.0 100:548.0 101:35.0 102:1130.0 103:105.0 104:50.0 105:3.0 106:36.0 107:213.0 108:109.0 109:5.0 110:75.0 111:9.0 112:18.0 113:13.0 114:40.0 115:102.0 | 6106 | C00123 |  | 267344 | 149971 | 156139 | 158508 | 224349 | 219692 | 121286 | 53821 | 120941 | 170255 | 92089 | 194231 | 145872 | 139053 | 268641 | 137157 | 252160 | . | 84620 | 167605 | 181103 | 143757 | 120336 | 105783 | 260037 | 123432 | 110472 | 264554 | 215108 | 268628 | 303462 | 158259 | 86416 | 163112 | 120274 | 249840 | 110392 | 208583 | 87702 | 78460 | 120675 | 165806 | 129863 | 164280.6666666667 | 9806.192053888935 | 121051 | 39651 | 129767 | 145780 | 130254 | 201854 | 55212 | 117565 | 49367 | 138230 | 135821 | 58694 | 110270.5 | 14147.44604722319 | 54010.16666666666 | 0.008963482591381454 | 148.9797059654819 |  |  | *** | leucine
223402 | 345709 | 158 | 223402 | 85:2798.0 87:3114.0 88:132.0 89:2056.0 90:679.0 91:2501.0 92:828.0 93:2241.0 94:538.0 95:1133.0 96:894.0 97:453.0 98:1524.0 99:1741.0 100:6744.0 102:30094.0 104:1923.0 105:5003.0 106:1309.0 107:3829.0 108:377.0 109:1351.0 110:848.0 111:12.0 112:410.0 113: |  |  |  | 267578 | 150200 | 156398 | 158786 | 225960 | 219933 | 121070 | 53624 | 120758 | 171128 | 91111 | 195059 | 145655 | 136381 | 268900 | 137392 | 252407 | 127054 | 84398 | 167395 | 181328 | 143560 | 120591 | 107695 | 260295 | 123216 | 110723 | 264859 | 215305 | 268818 | 303729 | 158453 | 86239 | 163961 | 120511 | 249673 | 110121 | 208868 | 87401 | 78249 | 120487 | 165554 | 129692 | 163500.3488372093 | 9642.155687051387 | 121271 | 38758 | 129984 | 146104 | 130032 | 201235 | 55057 | 116700 | 49033 | 136713 | 135611 | 58042 | 109878.3333333333 | 14163.54301159897 | 53622.01550387598 | 0.00899655145211122 | 148.8012639773167 |  |  | *** | 223402
281229 | 986303 | 310 | 281229 | 89:57.0 103:36.0 105:6.0 113:51.0 117:42.0 120:268.0 121:180.0 126:10.0 135:106.0 154:1.0 156:64.0 174:17.0 179:233.0 180:30.0 184:3.0 191:27.0 192:352.0 193:865.0 194:138.0 195:294.0 204:67.0 206:29.0 207:442.0 208:423.0 209:212.0 217:135.0 221:567.0 224 |  |  |  | 1069 | 1179 | 1320 | 1867 | 863 | 1696 | 1214 | 1578 | 980 | 1580 | 1100 | 2019 | 1170 | 964 | 1366 | 1447 | 1714 | 1592 | 1274 | 1731 | 1449 | 1807 | 4100 | 1537 | 1474 | 1050 | 1135 | 1395 | 1398 | 1709 | 1286 | 1348 | 1772 | 5507 | 2255 | 1601 | 1009 | 1910 | 993 | 1029 | 1549 | 1575 | 800 | 1567.697674418605 | 123.3926402625682 | 970 | 1059 | 604 | 1285 | 1306 | 1105 | 1032 | 1416 | 833 | 1074 | 1352 | 759 | 1066.25 | 71.97665078048408 | 501.4476744186047 | 0.03992854614168322 | 147.0290902151094 |  |  | *** | 281229
2-hydroxybutanoic acid | 258175 | 131 | 199800 | 85:149.0 86:7.0 87:71.0 88:31.0 89:19.0 91:405.0 92:19.0 93:2.0 95:123.0 97:12.0 99:46.0 100:6.0 101:97.0 103:112.0 104:25.0 105:164.0 106:3.0 107:19.0 108:4.0 109:27.0 110:14.0 112:2.0 115:201.0 116:35.0 117:111.0 118:6.0 119:642.0 120:29.0 121:1.0 123:2 | 94318 | C05984 |  | 153532 | 136311 | 153017 | 117141 | 119568 | 130293 | 191113 | . | 169986 | 178924 |  | 166516 | 155728 | 107259 | 214854 | 112702 | 144848 | 147823 | 88136 | 126169 | 171106 | 170490 | 185378 |  | 303067 | 51669 | 105758 | 82420 | 99249 | 235362 | 379303 | 62828 | 110055 | 117407 | 92411 | 153800 | 145579 | 171513 | 135959 | 142664 | 134217 |  | 63108 | 146852.8974358974 | 9843.634822459728 | 74319 | 69383 | 42927 | 70804 | 112017 | 208171 | 35792 | 57751 | 254856 | 53800 | . | 126339 | 100559.9090909091 | 21376.4488433818 | 46292.98834498835 | 0.03800727824413119 | 146.0352328910104 |  |  | *** | 2-hydroxybutanoic acid
223506 | 802836 | 246 | 223506 | 86:157.0 101:47.0 103:4.0 114:114.0 117:59.0 127:156.0 132:12.0 143:4.0 158:38.0 182:6.0 197:22.0 205:1.0 207:28.0 208:9.0 217:45.0 221:15.0 226:48.0 230:9.0 233:3.0 246:3175.0 247:557.0 248:217.0 259:10.0 271:1.0 272:30.0 279:19.0 280:3.0 281:39.0 284:4. |  |  |  | 6212 | 7311 | 12015 | 4766 | 6659 | 5225 | 4448 | 8886 | 5029 | 7692 | 4208 | 5676 | 3706 | 3960 | 5392 | 5910 | 4784 | 6637 | 7119 | 6158 | 4975 | 5167 | 3402 | 9404 | 4538 | 4964 | 5109 | 4133 | 3825 | 5777 | 6944 | 4507 | 7119 | 7473 | 5529 | 6243 | 4694 | 5511 | 4361 | 8467 | 5611 | 7301 | 3301 | 5817.395348837209 | 267.169433590993 | 5129 | 3948 | 5044 | 5103 | 3930 | 6149 | 1998 | 4100 | 1610 | 4436 | 3921 | 3665 | 4086.083333333333 | 370.8786957273825 | 1731.312015503876 | 0.002436387065556918 | 142.3709423980717 |  |  | *** | 223506
taurine | 557250 | 326 | 234595 | 85:2682.0 86:34189.0 87:3463.0 88:1176.0 89:1034.0 90:695.0 91:5.0 93:1464.0 95:790.0 97:788.0 98:2446.0 99:2349.0 100:60731.0 101:6086.0 102:5145.0 103:1284.0 104:490.0 107:1220.0 110:1333.0 111:651.0 112:4906.0 113:4539.0 114:7587.0 115:2701.0 116:2604. | 1123 | C00245 |  | 5779 | 3678 | 5676 | 8266 | 6958 | 5275 | 2874 | 971 | 3149 | 3702 | 3184 | 7531 | 2130 | 6835 | 5536 | 5271 | 4302 | 4716 | 7434 | 4491 | 13292 | 6450 | 2285 | 2843 | 3179 | 5527 | 2462 | 5993 | 7508 | 4016 | 6013 | 9196 | 1675 | 8049 | 8923 | 4188 | 6573 | 7394 | 2467 | 4009 | 32865 | 4316 | 5231 | 5865.395348837209 | 739.7316767875335 | 3088 | 1407 | 3034 | 8605 | 7155 | 8869 | 2494 | 2872 | 2133 | 5754 | 2835 | 2457 | 4225.25 | 761.7146141496111 | 1640.145348837209 | 0.2674321881711585 | 138.8177113505049 |  |  |  | taurine
arachidic acid | 856486 | 117 | 241206 | 85:5859.0 88:228.0 89:5274.0 90:1214.0 91:10782.0 92:4083.0 93:8557.0 94:2444.0 95:13392.0 96:841.0 97:9267.0 98:10027.0 99:2162.0 101:131.0 104:171.0 105:8363.0 106:1744.0 107:2678.0 108:3904.0 109:4920.0 110:40.0 111:6308.0 112:3828.0 113:6.0 115:909.0 | 10467 | C06425 |  | 50062 | 12711 | 15755 | 13723 | 19637 | 8771 | 69025 | 11212 | 10792 | 16146 | 1297 | 17582 | 2256 | 14709 | 15706 | 15633 | 3504 | 10617 | 10309 | 8481 | 11046 | 17279 | 11123 | 15987 | 10645 | 20008 | 10769 | 4458 | 12476 | 12578 | 16503 | 9573 | 54922 | 15853 | 14082 | 12392 | 13346 | 14261 | 9948 | 13777 | 13116 | 11844 | 9509 | 15428.44186046512 | 1932.545874869297 | 9771 | 11375 | 4696 | 16798 | 16995 | 13699 | 14107 | 10258 | 11420 | 12512 | 2819 | 10234 | 11223.66666666667 | 1224.171533913628 | 4204.77519379845 | 0.2655426622700571 | 137.4634717751042 |  |  |  | arachidic acid
224552 | 494599 | 239 | 224552 | 85:16.0 86:4557.0 87:1994.0 88:693.0 90:61.0 91:161.0 92:28.0 93:185.0 94:19.0 95:523.0 96:297.0 97:1228.0 98:624.0 100:2660.0 101:879.0 102:95.0 103:18.0 104:175.0 107:1012.0 108:250.0 109:156.0 110:500.0 111:1002.0 112:561.0 114:355.0 115:169.0 116:75.0 |  |  |  | 496 | 539 | 589 | 972 | 1027 | 887 | 892 | 633 | 570 | 759 | 480 | 1005 | 584 | 646 | 647 | 835 | 1018 | 334 | 520 | 481 | 388 | 1013 | 707 | 886 | 543 | 827 | 606 | 623 | 628 | 761 | 412 | 384 | 13851 | 1219 | 943 | 510 | 288 | 629 | 805 | 474 | 673 | 519 | 610 | 981.6976744186046 | 308.1654851899053 | 739 | 374 | 681 | 1032 | 1546 | 690 | 692 | 759 | 336 | 857 | 426 | 461 | 716.0833333333334 | 96.29425061767813 | 265.6143410852712 | 0.6540752150841056 | 137.0926578962325 |  |  |  | 224552
274531 | 706670 | 331 | 274531 | 85:420.0 86:377.0 87:28.0 89:597.0 91:135.0 93:193.0 94:121.0 95:419.0 96:671.0 97:450.0 98:664.0 99:801.0 100:2368.0 101:918.0 102:365.0 103:2034.0 104:123.0 105:519.0 106:13.0 108:180.0 109:427.0 110:303.0 111:499.0 112:246.0 113:313.0 114:312.0 115:406 |  |  |  | 2134 | 1762 | 2999 | 2208 | 1818 | 2482 | 2048 | 2403 | 2178 | 2340 | 1983 | 3207 | 2365 | 2664 | 2572 | 2251 | 2111 | 2391 | 1856 | 2240 | 2229 | 2921 | 2014 | 2633 | 2901 | 2381 | 2361 | 1971 | 2283 | 2580 | 2483 | 2167 | 10589 | 2246 | 2652 | 2689 | 2054 | 1989 | 1334 | 2764 | 1711 | 2744 | 1493 | 2493.046511627907 | 201.9125441237281 | 1893 | 1823 | 1851 | 1864 | 1967 | 1540 | 1494 | 2561 | 1265 | 1658 | 2083 | 1827 | 1818.833333333333 | 94.02899563539962 | 674.2131782945737 | 0.0879530355657329 | 137.0684419478369 |  |  |  | 274531
218761 | 336333 | 116 | 218761 | 85:1495.0 86:3455.0 87:355.0 88:537.0 89:5409.0 90:1016.0 91:186.0 92:20.0 93:212.0 94:363.0 95:324.0 96:7660.0 97:1264.0 98:3897.0 99:965.0 100:4389.0 101:1634.0 102:733.0 103:433.0 104:188.0 109:28.0 111:180.0 112:898.0 113:344.0 114:1464.0 115:633.0 11 |  |  |  | 115480 | 55675 | 35278 | 39869 | 207249 | 101735 | 31248 | 44511 | 59493 | 27082 | 62716 | 154973 | 30155 | 70789 | 180087 | 39019 | 176842 | 56677 | 63444 | 77309 | 53330 | 33713 | 56921 | 29691 | 166308 | 24095 | 37264 | 195076 | 185836 | 136631 | 145642 | 79336 | 94584 | 231936 | 30046 | 210339 | 38462 | 170158 | 17305 | 45951 | 74285 | 73400 | 92275 | 89586.3953488372 | 9519.194930232065 | 26395 | 56290 | 58355 | 40868 | 215658 | 59048 | 25102 | 33976 | 54808 | 125154 | 43251 | 58927 | 66486 | 15493.42489574207 | 23100.39534883721 | 0.2490391149830201 | 134.7447512992769 |  |  |  | 218761
2-deoxyerythritol | 422939 | 103 | 211437 | 90:1.0 96:2.0 103:459.0 104:24.0 105:7.0 119:1.0 129:37.0 131:8.0 133:28.0 147:102.0 148:2.0 149:1.0 155:1.0 156:1.0 189:4.0 203:2.0 208:1.0 219:46.0 220:5.0 221:2.0 225:1.0 236:1.0 245:1.0 258:2.0 291:1.0 297:1.0 306:2.0 333:1.0 335:2.0 336:1.0 345:2.0 3 | 18302 |  |  | 7432 | 8820 | 10221 | 8237 | 10059 | 15533 | 10470 | 15373 | 7639 | 14464 | 9290 | 10984 | 7927 | 12177 | 13436 | 11877 | 10406 | 10722 | 11927 | 10039 | 12061 | 13236 | 11870 | 10508 | 6921 | 9679 | 7177 | 9096 | 10323 | 13968 | 10131 | 15537 | 9098 | 10737 | 14021 | 14395 | 11674 | 12074 | 6790 | 10861 | 14758 | 12255 | 6648 | 10950.02325581395 | 383.1313360923013 | 7156 | 6813 | 7066 | 8204 | 13733 | 8984 | 3860 | 10210 | 6344 | 7773 | 10979 | 8114 | 8269.666666666666 | 726.6735265175236 | 2680.356589147288 | 0.00191289619049564 | 132.4119060318508 |  |  | *** | 2-deoxyerythritol
linoleic acid | 777102 | 337 | 199240 | 85:539.0 86:198.0 87:84.0 88:115.0 89:404.0 90:26.0 91:2027.0 92:324.0 93:2910.0 94:2158.0 95:4815.0 96:2863.0 97:1449.0 98:363.0 99:311.0 100:44.0 101:132.0 102:9.0 103:8.0 104:66.0 105:910.0 106:291.0 107:1535.0 108:1155.0 109:1950.0 110:1406.0 111:542. | 5280450 | C01595 |  | 14366 | 3151 | 7071 | 5170 | 7138 | 11695 | 5340 | 4478 | 7390 | 11530 | 5239 | 6878 | 8681 | 11609 | 16087 | 11698 | 3922 | 5355 | 19695 | 7715 | 20464 | 10274 | 6224 | 9483 | 10529 | 4464 | 3834 | 13475 | 9816 | 7845 | 14247 | 10067 | 8463 | 9986 | 6429 | 6925 | 2969 | 7895 | 4338 | 6197 | 6329 | 5327 | 15302 | 8723.023255813954 | 644.7736968442197 | 5712 | 4725 | 8368 | 7784 | 7293 | 6277 | 3799 | 6747 | 8451 | 6186 | 6183 | 7916 | 6620.083333333333 | 415.4418870189899 | 2102.939922480621 | 0.09767979839186836 | 131.7660642108829 |  |  |  | linoleic acid
281143 | 617834 | 328 | 281143 | 85:86.0 86:326.0 88:60.0 89:253.0 93:163.0 95:610.0 96:6743.0 97:2113.0 98:265.0 99:270.0 100:1409.0 101:533.0 102:397.0 103:1591.0 110:276.0 112:69.0 113:473.0 114:357.0 116:417.0 117:293.0 122:73.0 124:157.0 125:257.0 127:35.0 128:396.0 129:216.0 130:85 |  |  |  | 3116 | 2079 | 3846 | 3714 | 711 | 1708 | 4518 | 1675 | 1849 | 3010 | 2227 | 4383 | 2926 | 2990 | 3217 | 5085 | 1951 | 4340 | 1238 | 2154 | 4745 | 3421 | 2453 | 2919 | 1460 | 1120 | 2952 | 2367 | 2493 | 5833 | 3651 | 4441 | 1192 | 5771 | 4388 | 5660 | 1973 | 5551 | 1979 | 1219 | 3392 | 2521 | 3060 | 3053.441860465116 | 211.2789177028752 | 1826 | 2696 | 1186 | 4798 | 3261 | 3146 | 846 | 2126 | 1061 | 2086 | 2916 | 1982 | 2327.5 | 322.1441306451057 | 725.9418604651164 | 0.1014487146299179 | 131.1897684410362 |  |  |  | 281143
palmitic acid | 711066 | 313 | 227993 | 85:417.0 86:40.0 87:201.0 89:75.0 93:219.0 95:782.0 96:115.0 97:416.0 98:554.0 99:149.0 100:92.0 101:33.0 105:247.0 107:38.0 109:208.0 110:66.0 111:130.0 112:105.0 114:45.0 116:728.0 117:13594.0 118:1183.0 119:294.0 123:10.0 124:16.0 125:29.0 127:100.0 12 | 985 | C00249 |  | 133613 | 80436 | 93949 | 66626 | 97407 | 104838 | 89948 | 66296 | 77351 | 112587 | 71326 | 86514 | 103602 | 100557 | 129257 | 117214 | 70513 | 62155 | 148817 | 92685 | 147857 | 103987 | 102297 | 100836 | 114275 | 77624 | 52128 | 103388 | 94383 | 90114 | 150800 | 82559 | 296727 | 85104 | 71458 | 99279 | 54165 | 98307 | 61125 | 60632 | 85187 | 85222 | 103518 | 98294.48837209302 | 6002.583144793362 | 76900 | 62429 | 119175 | 72227 | 80112 | 69414 | 52741 | 91022 | 52412 | 72969 | 64757 | 88061 | 75184.91666666667 | 5308.444419833327 | 23109.57170542635 | 0.05469615179138732 | 130.7369785456875 |  |  |  | palmitic acid
ornithine | 527822 | 142 | 202829 | 85:254.0 86:485.0 88:721.0 89:1363.0 92:45.0 94:28.0 95:63.0 96:358.0 97:703.0 98:933.0 99:328.0 100:2198.0 101:509.0 102:6737.0 103:1070.0 104:759.0 105:138.0 106:44.0 107:9.0 108:201.0 110:280.0 111:224.0 112:387.0 113:303.0 114:655.0 115:2669.0 117:716 | 6262 | C00077 |  | 8756 | 5053 | 9236 | 3762 | 11425 | 3849 | 2560 | 3002 | 4283 | 7231 | 3788 | 6856 | 5368 | 5863 | 11975 | 6568 | 19132 | 3040 | 1888 | 7979 | 5345 | 3213 | 3009 | 3222 | 20540 | 4731 | 7478 | 18959 | 13732 | 11711 | 7663 | 11314 | 2382 | 20357 | 2337 | 17298 | 2971 | 11543 | 3135 | 1908 | 2330 | 7555 | 5425 | 7436.558139534884 | 819.0121458989047 | 2695 | 3542 | 9500 | 9390 | 16531 | 4302 | 2622 | 5894 | 2639 | 4193 | 4427 | 2531 | 5688.833333333333 | 1211.754730866679 | 1747.724806201551 | 0.303233128749636 | 130.7220251287883 |  |  |  | ornithine
227322 | 364439 | 142 | 227322 | 85:111.0 86:177.0 89:850.0 90:449.0 91:234.0 92:16.0 93:132.0 94:642.0 95:3.0 96:263.0 97:134.0 99:59.0 100:694.0 101:227.0 102:287.0 104:309.0 107:860.0 108:511.0 109:184.0 110:4273.0 111:434.0 112:116.0 113:289.0 114:1537.0 115:778.0 116:380.0 119:2.0 1 |  |  |  | 189089 | 142443 | 169900 | 84060 | 247078 | 189218 | 130931 | 46796 | 119778 | 188411 | 37356 | 147603 | 61256 | 129335 | 356560 | 131691 | 296758 | 106237 | 73182 | 314477 | 134559 | 163423 | 31540 | 105147 | 203051 | 112899 | 94057 | 245232 | 286637 | 243390 | 237155 | 194498 | 52169 | 252690 | 100600 | 266519 | 106522 | 222902 | 71958 | 75668 | 150899 | 116739 | 101660 | 156559.8372093023 | 12395.04276968745 | 107047 | 28283 | 124363 | 188785 | 246473 | 240001 | 75230 | 67683 | 32149 | 175918 | 90855 | 76960 | 121145.5833333333 | 21672.148483731 | 35414.25387596899 | 0.1810448294953032 | 129.2328064313548 |  |  |  | 227322
proline | 364232 | 142 | 199611 | 85:2.0 88:15.0 91:98.0 92:102.0 95:3.0 96:5.0 98:3.0 99:10.0 100:74.0 101:25.0 107:26.0 110:19.0 113:5.0 115:2.0 117:33.0 118:16.0 126:28.0 127:10.0 128:9.0 130:1.0 131:13.0 132:12.0 133:2.0 134:56.0 135:2.0 136:9.0 140:21.0 141:4.0 142:3396.0 143:428.0 1 | 145742 | C00148 |  | 188930 | 142379 | 167400 | 84441 | 246505 | 188634 | 130743 | 46983 | 119507 | 188239 | 38103 | 147348 | 61417 | 129164 | 354339 | 131621 | 295384 | 106099 | 72967 | 314320 | 134475 | 163323 | 31572 | 105096 | 200702 | 112797 | 94050 | 245094 | 285841 | 243231 | 236967 | 194323 | 52755 | 250227 | 100172 | 266360 | 106579 | 222635 | 73737 | 76248 | 150758 | 118325 | 101565 | 156310.5813953488 | 12319.4612706992 | 107186 | 28514 | 124497 | 188053 | 246372 | 239812 | 75433 | 67796 | 32763 | 177320 | 91077 | 77110 | 121327.75 | 21632.67852821107 | 34982.83139534883 | 0.1840245885609785 | 128.8333307057527 |  |  |  | proline
2-ketoisocaproic acid | 310629 | 200 | 213388 | 85:175.0 86:236.0 89:6303.0 90:491.0 91:173.0 92:17.0 93:3.0 95:42.0 96:4.0 98:729.0 99:4133.0 100:709.0 101:68.0 103:3.0 108:22.0 110:2701.0 111:155.0 112:64.0 113:101.0 114:822.0 115:2454.0 116:492.0 117:184.0 118:60.0 126:196.0 127:16.0 128:10.0 137:3. | 70 | C00233 |  | 8397 | 5361 | 7285 | 8844 | 5168 | 7011 | 11159 | 4707 | 6336 | 10660 | 5687 | 7051 | 4218 | 6103 | 8502 | 4540 | 7150 | 5212 | 3605 | 6342 | 4628 | 7329 | 8337 | 6564 | 9880 | 3586 | 5760 | 6584 | 5878 | 6483 | 9852 | 3029 | 6205 | 5472 | 6316 | 4906 | 3599 | 6502 | 4991 | 5829 | 4026 | 3850 | 2319 | 6168.906976744186 | 309.0062445188851 | 6088 | 3520 | 4720 | 4818 | 4031 | 8400 | 3205 | 6308 | 2895 | 5654 | 4740 | 3332 | 4809.25 | 462.1217228636025 | 1359.656976744186 | 0.03693740718535306 | 128.2717050838319 |  |  | *** | 2-ketoisocaproic acid
226935 | 983996 | 310 | 226935 | 86:201.0 89:679.0 100:482.0 101:483.0 102:169.0 103:2039.0 108:109.0 114:60.0 116:260.0 117:920.0 120:335.0 121:4.0 125:42.0 129:1129.0 130:105.0 135:82.0 137:35.0 142:125.0 143:189.0 144:140.0 146:24.0 147:1137.0 153:35.0 154:101.0 156:655.0 157:126.0 15 |  |  |  | 25203 | 30114 | 34071 | 50575 | 22197 | 48566 | 33590 | 50035 | 20433 | 54379 | 28770 | 61674 | 31952 | 28368 | 31804 | 39094 | 49867 | 45359 | 28772 | 46807 | 38593 | 43913 | 21412 | 46796 | 33893 | 22001 | 31165 | 31993 | 38797 | 48141 | 28345 | 38366 | 21980 | 37234 | 60297 | 41019 | 29185 | 54290 | 20477 | 21768 | 41776 | 35149 | 22365 | 36525.23255813953 | 1739.559180243502 | 26806 | 34081 | 20212 | 35974 | 33787 | 31790 | 13815 | 39344 | 9333 | 34576 | 38378 | 23759 | 28487.91666666667 | 2826.992090486231 | 8037.315891472866 | 0.03074962501241171 | 128.2130700728889 |  |  | *** | 226935
2-oxogluconic acid | 542152 | 201 | 228269 | 85:3577.0 86:1819.0 87:4277.0 88:2167.0 89:13923.0 90:601.0 91:1818.0 93:1020.0 94:2196.0 95:474.0 97:531.0 98:1300.0 99:2124.0 100:5704.0 101:14351.0 102:2176.0 103:88060.0 104:9019.0 105:5728.0 107:459.0 109:154.0 110:2496.0 111:981.0 112:397.0 113:2134 | 3035456 | C00629 |  | 1111 | 349 | 388 | 1028 | 624 | 884 | 1155 | 1326 | 849 | 872 | 1185 | 1315 | 1286 | 353 | 822 | 1041 | 296 | 919 | 649 | 867 | 762 | 726 | 1352 | 1390 | 658 | 937 | 1260 | 456 | 968 | 725 | 905 | 1389 | 2843 | 647 | 186 | 1038 | 888 | 906 | 1018 | 1112 | 741 | 1407 | 253 | 927.5813953488372 | 68.03692757138157 | 544 | 370 | 534 | 940 | 1617 | 539 | 783 | 745 | 1018 | 299 | 853 | 450 | 724.3333333333334 | 104.2594616978975 | 203.2480620155038 | 0.1534698920300051 | 128.0600177656011 |  |  |  | 2-oxogluconic acid
uridine | 856953 | 258 | 213127 | 85:2472.0 86:1478.0 87:1633.0 88:576.0 89:3553.0 90:421.0 91:253.0 92:172.0 93:316.0 94:534.0 95:1117.0 96:2472.0 97:1997.0 98:1743.0 99:16654.0 100:10368.0 101:8412.0 102:3218.0 103:20005.0 104:2189.0 105:1295.0 106:340.0 107:121.0 108:303.0 109:830.0 11 | 6029 | C00299 |  | 1153 | 832 | 617 | 797 | 1111 | 880 | 1425 | 796 | 928 | 1172 | 1018 | 1190 | 999 | 1214 | 1312 | 793 | 727 | 1045 | 896 | 1623 | 971 | 1798 | 546 | 1027 | 2136 | 1754 | 845 | 1493 | 1339 | 1035 | 1000 | 809 | 970 | 1215 | 1135 | 983 | 813 | 1074 | 830 | 1289 | 834 | 1586 | 641 | 1084.906976744186 | 51.29939279314299 | 865 | 870 | 1086 | 938 | 628 | 946 | 774 | 677 | 855 | 1205 | 690 | 666 | 850 | 51.03296617250105 | 234.9069767441861 | 0.02420688422598684 | 127.6361149110807 |  |  | *** | uridine
phosphoethanolamine | 604454 | 100 | 199628 | 85:49.0 86:906.0 87:125.0 88:9.0 89:44.0 90:10.0 91:10.0 92:46.0 93:8.0 96:1.0 97:1.0 98:2.0 99:6.0 100:2798.0 101:243.0 102:104.0 103:48.0 104:16.0 105:4.0 106:6.0 107:56.0 108:2.0 110:18.0 112:3.0 113:28.0 114:1229.0 115:718.0 116:154.0 117:103.0 118:25 | 1015 | C00346 |  | 951 | 1807 | 2845 | 1277 | 988 | 795 | 2301 | 1647 | 1531 | 2166 | 1929 | 2021 | 3707 | 2908 | 2222 | 1422 | 2259 | 2891 | 4137 | 1880 | 2894 | 2353 | 2192 | 2056 | 1971 | 2081 | 2966 | 477 | 1146 | 1419 | 2397 | 2402 | 2276 | 1513 | 2122 | 1158 | 2078 | 2509 | 3794 | 2629 | 3209 | 2859 | 671 | 2112.930232558139 | 126.3388209113407 | 1850 | 916 | 2088 | 1788 | 1826 | 2088 | 1345 | 1093 | 1017 | 1766 | 2185 | 1979 | 1661.75 | 129.7635451562385 | 451.1802325581393 | 0.07667144855898851 | 127.1509091354379 |  |  |  | phosphoethanolamine
tocopherol gamma | 1026222 | 223 | 202089 | 85:38.0 87:1.0 88:3.0 90:2.0 91:84.0 92:6.0 93:9.0 95:56.0 96:10.0 97:5.0 100:8.0 101:15.0 102:2.0 103:10.0 104:31.0 105:86.0 106:15.0 107:6.0 108:2.0 109:49.0 113:15.0 114:1.0 115:6.0 116:18.0 117:6.0 118:3.0 119:21.0 120:16.0 121:20.0 123:12.0 124:4.0 1 | 92729 | C02483 |  | 10592 | 7324 | 5827 | 11181 | 12544 | 14904 | 3319 | 12265 | 6519 | 9398 | 6973 | 9833 | 7292 | 3833 | 10358 | 9007 | 3732 | 9620 | 14072 | 10695 | 7656 | 9924 | 7733 | 12591 | 10196 | 7080 | 6978 | 14630 | 12754 | 12338 | 22669 | 8912 | 6599 | 30309 | 2202 | 12342 | 6603 | 10215 | 2887 | 13877 | 9867 | 6127 | 6223 | 9767.441860465116 | 765.0172967610997 | 15051 | 6307 | 7281 | 14511 | 10729 | 2283 | 4808 | 10264 | 5453 | 1531 | 7184 | 7213 | 7717.916666666667 | 1229.697440358088 | 2049.525193798449 | 0.2029050659408067 | 126.5554200999637 |  |  |  | tocopherol gamma
cystine | 804143 | 218 | 223490 | 86:679.0 87:225.0 88:10.0 90:102.0 91:35.0 98:43.0 100:9221.0 101:1180.0 102:559.0 103:367.0 105:127.0 106:13.0 113:26.0 114:903.0 115:2311.0 116:1566.0 117:381.0 118:111.0 120:264.0 124:51.0 128:36.0 129:197.0 130:564.0 131:766.0 132:2303.0 133:762.0 134 | 67678 | C00491 |  | 35220 | 27455 | 41804 | 25898 | 55905 | 60094 | 34536 | 34290 | 25496 | 38592 | 36480 | 48953 | 32198 | 18154 | 59962 | 37952 | 45838 | 37757 | 37624 | 49190 | 40520 | 35543 | 19046 | 32652 | 41601 | 39613 | 42573 | 47571 | 47872 | 47978 | 50686 | 42854 | 14991 | 41092 | 40788 | 53796 | 39183 | 42293 | 2686 | 41322 | 50139 | 38130 | 19008 | 38496.16279069767 | 1818.382812577947 | 16413 | 37228 | 23390 | 35391 | 56809 | 37434 | 14750 | 31898 | 11983 | 31639 | 36540 | 32931 | 30533.83333333333 | 3583.41984708812 | 7962.32945736434 | 0.04762304360636824 | 126.0770711965339 |  |  | *** | cystine
shikimic acid | 607609 | 204 | 228066 | 85:1987.0 86:823.0 87:1770.0 88:761.0 89:1648.0 90:166.0 91:6038.0 92:1816.0 93:9224.0 94:1660.0 95:3106.0 96:1762.0 97:1863.0 98:648.0 99:2431.0 100:64.0 101:7803.0 102:888.0 103:10982.0 104:1139.0 105:6489.0 106:920.0 107:1730.0 108:646.0 109:2726.0 110 | 8742 | C00493 |  | 2002 | 1519 | 8159 | 2247 | 4821 | 1940 | 115244 | 1444 | 1494 | 2333 | 2654 | 3207 | 9375 | 1699 | 2954 | 1726 | 2823 | 1118 | 2249 | 2270 | 1918 | 3118 | 4054 | 3306 | 6664 | 4861 | 3065 | 5658 | 2281 | 2423 | 1264 | 1617 | 30850 | 1945 | 2408 | 1676 | 1485 | 2022 | 2562 | 1036 | 1876 | 10484 | 1368 | 6260.906976744186 | 2694.115101943164 | 1091 | 1576 | 8515 | 23265 | 3642 | 1621 | 7452 | 2110 | 3477 | 3367 | 1324 | 2210 | 4970.833333333333 | 1798.29212256541 | 1290.073643410853 | 0.8056586428904731 | 125.9528645782569 |  |  |  | shikimic acid
xylose | 542808 | 103 | 200500 | 85:565.0 86:845.0 87:790.0 88:535.0 89:6861.0 90:592.0 91:618.0 92:229.0 93:81.0 94:131.0 95:82.0 96:74.0 97:71.0 98:285.0 99:592.0 100:1939.0 101:2517.0 102:1082.0 103:47280.0 104:4533.0 105:4103.0 106:317.0 107:207.0 108:45.0 109:43.0 110:128.0 111:241. | 6027 | C00181 |  | 4956 | 4925 | 5338 | 4935 | 4501 | 4688 | 7033 | 7246 | 5539 | 6165 | 5819 | 7660 | 6441 | 6994 | 4959 | 5468 | 4233 | 5664 | 5199 | 3818 | 5641 | 4020 | 7262 | 5304 | 4788 | 2528 | 5817 | 3967 | 4635 | 3903 | 5535 | 4049 | 10619 | 5933 | 4121 | 7139 | 5322 | 5343 | 6156 | 6817 | 5881 | 6821 | 2413 | 5478.953488372093 | 221.1825410131772 | 4353 | 4680 | 4729 | 3345 | 3812 | 3935 | 3002 | 4189 | 6987 | 3996 | 4763 | 4866 | 4388.083333333333 | 289.5369201959667 | 1090.87015503876 | 0.01808254924333749 | 124.8598322359138 |  |  | *** | xylose
histidine | 663393 | 154 | 231328 | 85:1868.0 86:3594.0 88:396.0 91:362.0 92:521.0 93:126.0 95:224.0 98:1173.0 100:5910.0 101:1646.0 107:5940.0 108:911.0 109:259.0 110:4528.0 112:679.0 114:69.0 120:5.0 121:2.0 123:79.0 124:438.0 125:360.0 126:2079.0 127:3094.0 132:1111.0 137:205.0 138:274.0 | 6274 | C00135 |  | 66113 | 53771 | 60934 | 83652 | 55388 | 53159 | 44793 | 54465 | 49208 | 55154 | 58060 | 67771 | 60412 | 44248 | 56008 | 55203 | 60543 | 53855 | 45624 | 66684 | 47331 | 58838 | 35226 | 60566 | 74013 | 48994 | 57321 | 84527 | 54268 | 54503 | 60711 | 49043 | 31972 | 43651 | 66046 | 55188 | 44581 | 54120 | 62944 | 46713 | 38553 | 109825 | 27054 | 56070.53488372093 | 2177.996219197902 | 54386 | 48714 | 46712 | 49987 | 39378 | 50897 | 31599 | 44788 | 27735 | 48317 | 50533 | 46586 | 44969.33333333334 | 2332.098249961772 | 11101.2015503876 | 0.01305119912838204 | 124.6861599394868 |  |  | *** | histidine
273236 | 1108221 | 311 | 273236 | 90:110.0 94:1.0 95:59.0 103:430.0 104:58.0 109:108.0 114:47.0 116:43.0 118:113.0 119:220.0 120:174.0 121:22.0 122:20.0 123:36.0 124:61.0 125:48.0 129:1639.0 130:541.0 131:210.0 136:8.0 141:25.0 142:200.0 145:143.0 151:4.0 153:26.0 154:34.0 155:221.0 156:2 |  |  |  | 149 | 264 | 231 | 99 | 964 | 177 | 549 | 78 | 92 | 72 | 413 | 253 | 84 | 172 | 183 | 43 | 5690 | 163 | 1586 | 25788 | 668 | 199 | 1141 | 306 | 102 | 441 | 493 | 264 | 327 | 373 | 244 | 331 | 60 | 101 | 106 | 91 | 1121 | 88 | 584 | 316 | 462 | 64 | 86 | 1046.93023255814 | 604.2161551308398 | 44 | 437 | 1003 | 3169 | 175 | 168 | 736 | 451 | 2919 | 194 | 583 | 207 | 840.5 | 307.8403880998309 | 206.4302325581396 | 0.859720757488081 | 124.5604083947816 |  |  |  | 273236
serine | 394650 | 204 | 213294 | 85:4149.0 86:13315.0 87:6992.0 88:15150.0 89:10502.0 90:1587.0 91:745.0 92:179.0 93:337.0 94:83.0 95:182.0 96:273.0 97:332.0 98:3409.0 99:2717.0 100:178441.0 101:28554.0 102:14111.0 103:31730.0 104:3916.0 105:4100.0 106:636.0 107:226.0 108:66.0 109:73.0 1 | 5951 | C00065 |  | 115324 | 103758 | 123073 | 111862 | 154424 | 108704 | 75960 | 54678 | 72403 | 133535 | 68348 | 135680 | 114211 | 98455 | 196150 | 88828 | 122582 | 94690 | 58730 | 108621 | 111567 | 143886 | 88406 | 95802 | 144154 | 84899 | 86508 | 167175 | 162860 | 150346 | 113438 | 140835 | 150880 | 112528 | 101540 | 121639 | 81600 | 109660 | 46313 | 63207 | 115177 | 118060 | 95663 | 110375.7906976744 | 4929.791509629421 | 71737 | 74459 | 141970 | 121311 | 128963 | 90514 | 52892 | 94044 | 51725 | 93104 | 68256 | 100478 | 90787.75 | 8356.548192816437 | 19588.04069767441 | 0.06350539310889952 | 121.5756428567449 |  |  |  | serine
204465 | 474367 | 140 | 204465 | 86:178.0 87:47.0 88:69.0 90:260.0 91:578.0 93:36.0 94:4.0 95:1.0 96:12.0 97:164.0 98:718.0 99:62.0 100:197.0 101:33.0 102:75.0 103:3.0 104:157.0 107:25.0 108:17.0 109:1.0 110:221.0 111:41.0 112:50.0 113:76.0 114:53.0 115:142.0 116:122.0 121:1.0 123:5.0 12 |  |  |  | 1168 | 3252 | 1169 | 1366 | 1315 | 2054 | 1094 | 2600 | 22821 | 477 | 3830 | 1956 | 2390 | 1538 | 998 | 1384 | 14953 | 4270 | 1888 | 411 | 2341 | 1717 | 4033 | 4669 | 1790 | 1516 | 2660 | 1525 | 414 | 893 | 1916 | 2043 | 4062 | 17913 | 807 | 1139 | 2327 | 736 | 1891 | 2281 | 1276 | 5815 | 631 | 3147.186046511628 | 689.8047409022516 | 2626 | 1842 | 3287 | 2307 | 1378 | 1314 | 1795 | 2112 | 4182 | 2395 | 4693 | 3142 | 2589.416666666667 | 306.299082852962 | 557.7693798449613 | 0.675273118061577 | 121.5403487212034 |  |  |  | 204465
217797 | 655403 | 273 | 217797 | 85:567.0 86:1360.0 87:971.0 88:870.0 89:11394.0 90:1049.0 91:693.0 92:64.0 93:126.0 94:163.0 95:34.0 96:351.0 97:550.0 98:583.0 99:1218.0 100:1924.0 101:5846.0 102:1176.0 103:9757.0 104:961.0 105:2627.0 106:393.0 107:172.0 108:15.0 109:86.0 110:330.0 111: |  |  |  | 7277 | 7717 | 13362 | 9822 | 9404 | 9768 | 6611 | 7450 | 6591 | 9307 | 7360 | 12890 | 5585 | 7042 | 9147 | 7627 | 6614 | 6818 | 8865 | 10164 | 7710 | 9251 | 6055 | 8071 | 7532 | 8941 | 6030 | 9258 | 7409 | 7770 | 9392 | 6632 | 3664 | 8779 | 9239 | 8019 | 8649 | 9680 | 9041 | 8783 | 6448 | 7356 | 5090 | 8098.139534883721 | 276.3760409966514 | 6470 | 5888 | 5891 | 7856 | 8604 | 9178 | 3891 | 7050 | 4791 | 7201 | 6956 | 6200 | 6664.666666666667 | 432.3787154050876 | 1433.472868217054 | 0.01529482549137914 | 121.5085455869319 |  |  | *** | 217797
cysteine | 499495 | 220 | 223529 | 85:121.0 86:701.0 90:5.0 91:8.0 99:42.0 100:3938.0 101:418.0 102:407.0 109:65.0 110:215.0 111:289.0 112:341.0 113:261.0 114:357.0 115:440.0 116:751.0 117:18.0 119:105.0 124:17.0 127:32.0 128:839.0 129:223.0 130:214.0 131:935.0 132:988.0 133:9.0 134:155.0 | 594 | C00097 |  | 39475 | 27548 | 18977 | 26093 | 23541 | 21910 | 22160 | 17060 | 14069 | 28613 | 18701 | 31417 | 23508 | 25666 | 36519 | 25861 | 38019 | 19532 | 14125 | 31919 | 17458 | 26903 | 10153 | 19011 | 23091 | 18218 | 23917 | 24711 | 23187 | 24910 | 31109 | 23299 | 7997 | 36712 | 16142 | 25701 | 30221 | 24497 | 10196 | 25317 | 18359 | 19379 | 12099 | 23193.02325581395 | 1132.486545987215 | 26065 | 7882 | 15538 | 28667 | 34498 | 34461 | 11215 | 19657 | 6448 | 16024 | 16982 | 12636 | 19172.75 | 2793.190950098493 | 4020.273255813954 | 0.1271474417067453 | 120.9686834481958 |  |  |  | cysteine
adipic acid | 475399 | 111 | 218815 | 85:15.0 86:93.0 94:8.0 95:78.0 96:4.0 99:123.0 102:79.0 107:140.0 109:4.0 111:2899.0 112:116.0 113:68.0 114:100.0 116:84.0 117:256.0 120:3.0 121:6.0 123:9.0 124:32.0 125:23.0 126:70.0 129:429.0 130:50.0 131:111.0 132:49.0 135:6.0 136:2.0 139:26.0 140:7.0 | 196 | C06104 |  | 2480 | 2558 | 2606 | 2375 | 3041 | 1810 | 2877 | 2663 | 2071 | 3060 | 3703 | 3600 | 1974 | 2535 | 2083 | 3378 | 2630 | 1789 | 1451 | 2107 | 2356 | 3314 | 3038 | 4934 | 2996 | 3741 | 2521 | 2472 | 2745 | 1732 | 1920 | 1641 | 23568 | 3431 | 3590 | 1797 | 2296 | 2843 | 2350 | 1961 | 2215 | 6744 | 2177 | 3190.069767441861 | 505.8539443973941 | 3034 | 1982 | 2836 | 3532 | 4140 | 1894 | 1787 | 2158 | 3210 | 2508 | 2733 | 1950 | 2647 | 213.4708481978348 | 543.0697674418607 | 0.5780510938625085 | 120.5164249128017 |  |  |  | adipic acid
stearic acid | 787358 | 117 | 199195 | 85:700.0 86:253.0 87:125.0 88:82.0 89:447.0 90:48.0 91:171.0 92:25.0 93:426.0 94:40.0 95:1020.0 96:117.0 97:1024.0 98:749.0 99:386.0 100:49.0 101:187.0 102:22.0 105:450.0 106:48.0 107:188.0 108:13.0 109:271.0 110:45.0 111:412.0 112:177.0 113:76.0 114:7.0 | 5281 | C01530 |  | 887025 | 819253 | 701233 | 527959 | 796903 | 735799 | 641255 | 557505 | 476302 | 816586 | 534238 | 732262 | 749310 | 1001432 | 745307 | 708293 | 660865 | 506723 | 620735 | 751336 | 965176 | 910891 | 827836 | 712951 | 820456 | 720656 | 452012 | 841537 | 750450 | 609607 | 995860 | 513138 | 1276793 | 645215 | 604254 | 728648 | 564548 | 742820 | 736508 | 564864 | 693588 | 716815 | 561406 | 719217.4418604651 | 24664.31849882355 | 700227 | 614540 | 630608 | 636750 | 632187 | 500123 | 505369 | 774704 | 465160 | 522011 | 454482 | 741680 | 598153.4166666666 | 31201.2175817339 | 121064.0251937985 | 0.01820195796321515 | 120.2396277979072 |  |  | *** | stearic acid
[NAME] | 313224 | 144 | 199605 | 85:48.0 86:132.0 87:8.0 88:9.0 89:2.0 90:21.0 91:58.0 92:93.0 93:1.0 97:102.0 98:14.0 99:2.0 100:836.0 101:92.0 102:11.0 103:76.0 104:20.0 105:42.0 106:2.0 107:49.0 109:2.0 110:18.0 111:13.0 112:18.0 113:8.0 114:87.0 115:99.0 116:9.0 117:113.0 118:31.0 11 | 6287 | C00183 |  | 609022 | 340080 | 357663 | 414224 | 464009 | 430513 | 350496 | 242784 | 293813 | 409415 | 272863 | 487914 | 299921 | 328604 | 555962 | 380238 | 683494 | 331843 | 216263 | 424682 | 324166 | 304001 | 328559 | 281575 | 517456 | 333208 | 306123 | 543246 | 400430 | 555441 | 550819 | 388063 | 225592 | 456314 | 407241 | 474688 | 327000 | 527806 | 210464 | 270751 | 369605 | 375341 | 255947 | 386689.2790697674 | 17176.87399836892 | 339271 | 158946 | 318633 | 430856 | 422647 | 521560 | 196105 | 365049 | 143982 | 396308 | 342023 | 227095 | 321872.9166666667 | 34047.91769952477 | 64816.36240310076 | 0.08674665291626137 | 120.1372526381973 |  |  |  | [NAME]
239843 | 890991 | 290 | 239843 | 86:149.0 88:2.0 90:83.0 93:5.0 94:298.0 95:31.0 96:170.0 97:867.0 98:525.0 99:102.0 100:77.0 101:286.0 102:33.0 103:4828.0 104:534.0 105:28.0 109:31.0 110:265.0 111:218.0 112:4.0 114:253.0 115:77.0 116:993.0 117:2204.0 118:309.0 122:84.0 123:13.0 124:89.0 |  |  |  | 649 | 596 | 822 | 765 | 460 | 413 | 1099 | 550 | 455 | 316 | 746 | 4417 | 386 | 367 | 3475 | 5928 | 3504 | 631 | 870 | 4366 | 492 | 312 | 740 | 5851 | 5689 | 494 | 1169 | 318 | 387 | 2462 | 4971 | 639 | 847 | 2794 | 333 | 648 | 818 | 2916 | 636 | 823 | 1384 | 1713 | 444 | 1574.302325581395 | 260.5576300066619 | 496 | 970 | 359 | 397 | 3728 | 800 | 250 | 567 | 1629 | 5384 | 624 | 793 | 1333.083333333333 | 458.3349882890232 | 241.218992248062 | 0.6626699952346276 | 118.0948171968291 |  |  |  | 239843
myristic acid | 634543 | 285 | 199929 | 85:416.0 86:210.0 87:140.0 88:111.0 89:675.0 90:120.0 92:132.0 93:183.0 94:22.0 95:657.0 96:62.0 97:455.0 98:384.0 99:309.0 100:253.0 101:342.0 102:103.0 103:393.0 104:2.0 105:426.0 106:30.0 107:104.0 108:4.0 109:155.0 110:23.0 111:174.0 112:80.0 113:55.0 | 11005 | C06424 |  | 6537 | 5369 | 7144 | 4494 | 7976 | 6677 | 9350 | 4605 | 4644 | 7619 | 4948 | 7367 | 6056 | 6513 | 7199 | 7152 | 5401 | 3618 | 6939 | 7751 | 10022 | 6636 | 6099 | 7408 | 7744 | 5898 | 4206 | 7412 | 6542 | 5650 | 8299 | 5634 | 21566 | 7258 | 5233 | 6022 | 3776 | 6925 | 4065 | 4536 | 5291 | 5761 | 5738 | 6629.767441860465 | 417.4023341673333 | 5220 | 4326 | 12762 | 5624 | 5504 | 4885 | 4160 | 6441 | 4455 | 5327 | 4183 | 4815 | 5641.833333333333 | 676.1762235937725 | 987.9341085271317 | 0.2604011177949899 | 117.5108701402109 |  |  |  | myristic acid
226845 | 795371 | 232 | 226845 | 85:235.0 86:235.0 99:99.0 100:374.0 101:92.0 102:89.0 103:1402.0 108:108.0 114:13.0 116:284.0 117:718.0 118:112.0 120:5.0 124:21.0 129:570.0 130:558.0 131:390.0 132:14.0 134:287.0 136:86.0 140:18.0 141:87.0 142:73.0 143:134.0 144:302.0 147:1796.0 148:70.0 |  |  |  | 2346 | 2561 | 3965 | 5555 | 3013 | 2177 | 1558 | 4447 | 5974 | 2124 | 2777 | 5600 | 5472 | 2608 | 3059 | 1883 | 2512 | 1600 | 2539 | 3401 | 3731 | 3664 | 6001 | 3700 | 3692 | 3392 | 2810 | 5201 | 3097 | 2871 | 2131 | 2312 | 4826 | 1659 | 2515 | 2140 | 2741 | 1546 | 3799 | 2087 | 2387 | 6225 | 1163 | 3229.325581395349 | 208.2572806147431 | 1809 | 1818 | 3257 | 1973 | 2182 | 3749 | 2185 | 3067 | 5369 | 2298 | 3137 | 2183 | 2752.25 | 300.1247751882843 | 477.0755813953488 | 0.2677594606626674 | 117.3340205793568 |  |  |  | 226845
alanine | 243537 | 116 | 199651 | 86:338.0 87:58.0 88:38.0 89:51.0 94:193.0 95:163.0 96:74.0 98:5.0 99:16.0 100:675.0 101:170.0 102:149.0 103:505.0 104:54.0 105:49.0 106:2.0 108:4.0 109:43.0 110:115.0 111:143.0 114:92.0 115:220.0 116:11231.0 117:1549.0 118:416.0 123:15.0 128:108.0 129:28. | 5950 | C00041 |  | 403485 | 155931 | 348940 | 183690 | 274863 | 262693 | 529677 | 380900 | 518614 | 541005 | 310688 | 302138 | 201521 | 280996 | 421039 | 362165 | 1244514 | 381582 | 510053 | 1067538 | 219731 | 255018 | 277741 | 547973 | 380943 | 602188 | 170976 | 564015 | 229092 | 1024238 | 423750 | 255329 | 443110 | 773432 | 508579 | 387425 | 298845 | 535465 | 233427 | 576109 | 507444 | 609990 | 234940 | 435855.6279069767 | 36136.86185471228 | 263587 | 458204 | 311649 | 614608 | 312593 | 220255 | 396810 | 359383 | 352579 | 627185 | 226175 | 324664 | 372307.6666666667 | 38731.48683806071 | 63547.96124031005 | 0.3794751659916593 | 117.068668450818 |  |  |  | alanine
226922 | 696043 | 139 | 226922 | 85:1063.0 86:1308.0 87:399.0 88:787.0 89:865.0 91:63.0 94:35.0 95:307.0 97:795.0 98:3527.0 99:673.0 100:1924.0 101:1031.0 102:1112.0 103:2760.0 104:430.0 108:130.0 109:88.0 111:2132.0 112:744.0 113:1101.0 114:542.0 115:609.0 116:1261.0 117:1943.0 118:436. |  |  |  | 7034 | 21196 | 2820 | 13941 | 3621 | 3285 | 895 | 14865 | 22920 | 1928 | 27346 | 3588 | 29234 | 1461 | 2059 | 3182 | 1304 | 22495 | 13653 | 3179 | 10159 | 6660 | 31314 | 6636 | 3313 | 4130 | 21583 | 6265 | 625 | 1528 | 2175 | 4363 | 24397 | 1096 | 6316 | 2258 | 17341 | 2645 | 17131 | 20291 | 1389 | 56853 | 1479 | 10464.02325581395 | 1780.592472505506 | 5883 | 5015 | 3086 | 7276 | 841 | 943 | 2723 | 3007 | 47608 | 3314 | 17261 | 10536 | 8957.75 | 3757.653856050866 | 1506.273255813954 | 0.7013796543874642 | 116.8153080384466 |  |  |  | 226922
[NAME] | 483425 | 176 | 200533 | 86:21.0 88:3.0 90:8.0 92:12.0 95:10.0 100:164.0 101:1.0 102:9.0 103:70.0 104:5.0 105:26.0 106:4.0 107:16.0 110:25.0 112:1.0 113:3.0 114:41.0 115:3.0 127:6.0 128:694.0 129:60.0 130:54.0 132:10.0 134:7.0 139:4.0 143:1.0 147:79.0 148:18.0 149:2.0 150:2.0 158 | 6137 | C00073 |  | 15764 | 13991 | 22211 | 20167 | 25329 | 20285 | 20774 | . | 19640 | 25343 |  | 20894 | 17734 | 17552 | 20357 | 18626 | 26701 | 13505 | 11574 | 17688 | 23065 | 20614 | 6869 | . | 24770 | 17589 | 14332 | 25551 | 25620 | 21979 | 15393 | 21976 | 15306 | 21634 | 16238 | 18780 | 16201 | 24688 | 11303 | 9516 | 19438 |  | 15411 | 18830.97435897436 | 761.2450438930913 | 17823 | 9346 | 17741 | 21078 | 21557 | 16361 | 9986 | 23814 | 7906 | 18712 | . | 13790 | 16192.18181818182 | 1601.133631457763 | 2638.792540792541 | 0.1194223248690693 | 116.2967076977205 |  |  |  | [NAME]
palmitic acid butyl ester | 768467 | 129 | 206210 | 85:875.0 86:70.0 87:786.0 88:86.0 89:131.0 91:3.0 93:98.0 94:5.0 95:426.0 96:113.0 97:942.0 98:527.0 99:195.0 100:73.0 101:974.0 102:109.0 103:143.0 104:10.0 107:78.0 108:9.0 109:191.0 110:44.0 111:331.0 112:89.0 113:58.0 114:29.0 115:439.0 116:652.0 117: | 8090 |  |  | 1246 | 720 | 1416 | 1189 | . | 1161 | . | 564 | 1042 | . | 1172 | . | 444 | 1606 | . | . | . | 1454 | 1555 | . | 1489 | . | 902 | 2487 | . | . | 1548 | . | . | . | 881 | 964 | 4037 | . | . | 766 | 1328 | . | 1133 | 1023 | . | 955 | . | 1295.083333333333 | 146.6868264718631 | 686 | 361 | 725 | . | . | 1070 | . | 1331 | 510 | . | 3626 | 625 | 1116.75 | 374.7513342204401 | 178.3333333333333 | 0.5942155725819009 | 115.968957540482 |  |  |  | palmitic acid butyl ester
aconitic acid | 586574 | 229 | 199256 | 86:8.0 87:1.0 89:718.0 90:77.0 91:111.0 92:36.0 93:163.0 95:142.0 96:105.0 97:405.0 98:76.0 99:30.0 100:23.0 101:155.0 103:184.0 104:9.0 105:44.0 106:26.0 109:4.0 110:15.0 111:45.0 112:31.0 113:52.0 114:3.0 115:25.0 116:330.0 117:660.0 118:63.0 119:92.0 1 | 309 | C00417 |  | 452 | 522 | 913 | 891 | 2227 | 744 | 974 | 752 | 1223 | 980 | 682 | 1113 | 785 | 1133 | 2221 | 949 | 1720 | 607 | 1258 | 2065 | 1480 | 1510 | 570 | 1123 | 1907 | 1361 | 775 | 1125 | 1060 | 1576 | 884 | 740 | 892 | 1321 | 911 | 907 | 802 | 1230 | 923 | 940 | 1410 | 851 | 690 | 1097.651162790698 | 66.6055302487196 | 900 | 692 | 1380 | 819 | 1967 | 1067 | 822 | 955 | 297 | 845 | 612 | 1020 | 948 | 119.7232288035681 | 149.6511627906978 | 0.293785934690829 | 115.7859876361496 |  |  |  | aconitic acid
lignoceric acid | 977850 | 117 | 199247 | 85:255.0 86:33.0 87:41.0 88:34.0 89:37.0 90:5.0 91:41.0 93:66.0 94:3.0 95:288.0 96:43.0 97:296.0 98:225.0 99:57.0 100:7.0 101:8.0 102:1.0 103:20.0 105:90.0 106:26.0 107:39.0 108:15.0 109:66.0 110:3.0 111:147.0 112:43.0 113:14.0 115:19.0 116:159.0 117:3640 | 11197 | C08320 |  | 4915 | 3486 | 3771 | 4996 | 4356 | 3122 | 4672 | 3507 | 2249 | 2870 | 3741 | 3825 | 3554 | 3821 | 3975 | 3424 | 3303 | 3045 | 2686 | 4454 | 2982 | 3152 | 3538 | 5921 | 4684 | 3983 | 3820 | 4349 | 3722 | 3752 | 3238 | 3577 | 38247 | 4735 | 3141 | 4551 | 3900 | 3287 | 2799 | 3179 | 4274 | 5110 | 1909 | 4549.348837209302 | 811.4042923685513 | 3889 | 3554 | 4181 | 4288 | 5455 | 4596 | 2935 | 4703 | 3867 | 3627 | 3136 | 3079 | 3942.5 | 215.6648810286248 | 606.8488372093025 | 0.6970531660726822 | 115.3924879444338 |  |  |  | lignoceric acid
268506 | 301113 | 216 | 268506 | 85:307.0 86:714.0 87:1040.0 98:1322.0 99:1481.0 100:1639.0 101:420.0 102:102.0 103:248.0 105:324.0 107:867.0 109:106.0 110:635.0 112:151.0 113:595.0 114:4046.0 115:696.0 116:315.0 117:343.0 118:496.0 119:50.0 120:30.0 121:16.0 126:610.0 128:238.0 129:212. |  |  |  | 2475 | 1645 | 2510 | 2563 | 2173 | 4509 | 3055 | 5566 | 1875 | 2895 | 2141 | 2359 | 1750 | 1266 | 2602 | 1804 | 1804 | 1893 | 2069 | 2011 | 1906 | 1159 | 1533 | 2146 | 1301 | 1125 | 2250 | 2248 | 908 | 960 | 1417 | 1808 | 2258 | 1097 | 2060 | 1620 | 2081 | 1855 | 1444 | 1928 | 2028 | 2211 | 889 | 2027.837209302326 | 130.3969955383952 | 2017 | 1724 | 2035 | 1141 | 2151 | 1214 | 653 | 2503 | 1413 | 2474 | 1897 | 2156 | 1781.5 | 164.1061417423972 | 246.3372093023256 | 0.3522837661466609 | 113.8275166602484 |  |  |  | 268506
alpha mannosylglycerate | 633295 | 217 | 199788 | 85:181.0 86:15.0 87:193.0 88:25.0 89:817.0 90:31.0 91:53.0 92:18.0 93:16.0 94:1.0 95:2.0 96:5.0 97:225.0 98:3.0 99:149.0 100:25.0 101:1594.0 102:172.0 103:2896.0 104:202.0 105:151.0 106:9.0 107:14.0 109:3.0 110:4.0 111:132.0 113:300.0 114:37.0 115:397.0 1 | 443262 | [NAME] |  | 72302 | 122110 | 141107 | 120463 | 128663 | 247091 | 136568 | 106171 | 105976 | 62090 | 88383 | 208458 | 129633 | 173929 | 234399 | 155093 | 183072 | 54754 | 151843 | 140436 | 60806 | 262342 | 156321 | 166951 | 112057 | 109255 | 110801 | 72938 | 156199 | 222025 | 175440 | 277208 | 80549 | 244785 | 238603 | 253869 | 127497 | 125302 | 82318 | 117558 | 96657 | 205325 | 123278 | 147456.3953488372 | 9237.22498570203 | 172256 | 126582 | 80413 | 176141 | 264728 | 96170 | 109340 | 193256 | 52794 | 74025 | 85097 | 126317 | 129759.9166666667 | 17673.91803917369 | 17696.47868217055 | 0.3759701220980459 | 113.6378622434153 |  |  |  | alpha mannosylglycerate
281131 | 1071318 | 371 | 281131 | 85:1140.0 87:815.0 88:346.0 89:1204.0 90:33.0 92:110.0 94:78.0 95:958.0 97:883.0 98:2114.0 99:308.0 100:347.0 101:1207.0 102:109.0 103:736.0 105:468.0 106:34.0 108:150.0 109:293.0 111:250.0 112:443.0 113:141.0 114:171.0 116:704.0 117:1592.0 118:93.0 121:1 |  |  |  | 1098 | 1186 | 1376 | 1754 | 1213 | 1927 | 1394 | 2332 | 1047 | 2083 | 1227 | 1788 | 1063 | 1167 | 1933 | 2305 | 1988 | 2211 | 1753 | 1918 | 1217 | 1544 | 1644 | 1960 | 1073 | 1299 | 1014 | 1507 | 1799 | 1788 | 2199 | 1161 | 672 | 2815 | 1719 | 1775 | 1390 | 2545 | 1020 | 980 | 2179 | 634 | 1625 | 1588.883720930233 | 77.00808380645432 | 1763 | 1008 | 1081 | 2107 | 1934 | 1618 | 526 | 1353 | 723 | 1338 | 1803 | 1543 | 1399.75 | 141.1757514696851 | 189.1337209302326 | 0.2534046692568609 | 113.5119643457926 |  |  |  | 281131
281108 | 857519 | 362 | 281108 | 85:228.0 86:1291.0 88:94.0 89:97.0 90:20.0 91:105.0 94:100.0 96:489.0 97:4699.0 98:422.0 99:383.0 100:2015.0 101:139.0 102:745.0 103:11001.0 104:968.0 105:106.0 111:750.0 112:84.0 113:234.0 114:896.0 115:2.0 116:2225.0 118:278.0 119:197.0 124:44.0 126:112 |  |  |  | 21253 | 2271 | 22561 | 16107 | 25630 | 8574 | 13952 | 2555 | 10830 | 9895 | 8547 | 29977 | 9984 | 1183 | 29663 | 10766 | 39882 | 8515 | 11233 | 37883 | 6106 | 10223 | 844 | 6992 | 67229 | 30358 | 12796 | 49940 | 22647 | 21363 | 10458 | 8139 | 11547 | 27208 | 9329 | 10203 | 9403 | 22132 | 322 | 7666 | 9110 | 15429 | 3583 | 16146.23255813953 | 2094.91967745048 | 1464 | 5353 | 18374 | 24343 | 35686 | 19716 | 20795 | 3805 | 10066 | 14488 | 6732 | 10299 | 14260.08333333333 | 2876.920619233121 | 1886.1492248062 | 0.6596516729666856 | 113.2267756135567 |  |  |  | 281108
cysteine-glycine | 715639 | 220 | 227594 | 86:555.0 88:246.0 91:545.0 98:58.0 100:2576.0 101:711.0 102:497.0 106:180.0 111:45.0 114:75.0 115:246.0 116:1217.0 117:850.0 118:37.0 120:19.0 127:7.0 128:7.0 129:276.0 130:700.0 132:1267.0 134:167.0 140:83.0 141:169.0 142:388.0 146:312.0 147:12.0 148:19. | 439498 | C01419 |  | 1595 | 949 | 921 | 943 | 3127 | 709 | 960 | . | 926 | 1688 | . | 1415 | 868 | 1350 | 1930 | 1387 | 1304 | 925 | 1475 | 1305 | 1100 | 2499 | 782 | . | 1891 | 1274 | 1098 | 2056 | 1161 | 1921 | 1800 | 647 | 838 | 1558 | 1416 | 1329 | 848 | 1414 | 753 | 1329 | 1247 | . | 714 | 1319.282051282051 | 83.30880029202856 | 1044 | 701 | 767 | 834 | 3095 | 1085 | 982 | 1104 | 1124 | 1162 | . | 948 | 1167.818181818182 | 198.0611392374412 | 151.4638694638695 | 0.4251171908839538 | 112.9698160057805 |  |  |  | cysteine-glycine
asparagine | 553791 | 116 | 199805 | 85:31.0 86:83.0 87:26.0 88:14.0 89:189.0 90:25.0 91:62.0 93:8.0 95:7.0 97:19.0 98:41.0 99:52.0 100:476.0 101:124.0 102:73.0 103:1415.0 104:121.0 105:124.0 106:6.0 107:3.0 108:5.0 111:4.0 112:8.0 113:21.0 114:105.0 115:111.0 116:1358.0 117:321.0 118:86.0 1 | 236 | C00152 |  | 20365 | 20615 | 29536 | 29575 | 21513 | 26776 | 57485 | 18894 | 28391 | 33819 | 27713 | 26299 | 23890 | 20526 | 24323 | 31055 | 30057 | 24917 | 19060 | 24674 | 31503 | 25218 | 20089 | 30183 | 30691 | 20372 | 25407 | 24469 | 26395 | 26406 | 17418 | 31128 | 24937 | 23182 | 25733 | 20830 | 52381 | 25163 | 17702 | 17131 | 18319 | 85759 | 19472 | 27427.23255813953 | 1830.885061176543 | 21311 | 31426 | 19656 | 33944 | 26648 | 19763 | 18367 | 25368 | 23779 | 23647 | 25017 | 22802 | 24310.66666666667 | 1348.907056647992 | 3116.565891472866 | 0.3849991271778103 | 112.8197467153219 |  |  |  | asparagine
273450 | 462401 | 193 | 273450 | 85:44.0 87:90.0 88:113.0 91:747.0 99:72.0 101:915.0 103:415.0 105:487.0 106:80.0 110:414.0 113:27.0 114:389.0 115:625.0 116:217.0 117:1075.0 118:178.0 119:77.0 121:18.0 130:234.0 131:702.0 133:2071.0 134:467.0 135:210.0 137:17.0 143:149.0 145:171.0 147:89 |  |  |  | 2776 | 1704 | 2703 | 3344 | 2626 | 2349 | 2445 | 2205 | 1900 | 3123 | 4017 | 2739 | 2949 | 2276 | 4220 | 2962 | 2901 | 2448 | 4266 | 2737 | 2489 | 4052 | 3399 | 5145 | 4862 | 2193 | 3711 | 3418 | 2582 | 3196 | 3039 | 840 | 3749 | 4092 | 3343 | 4175 | 2499 | 4005 | 3372 | 2565 | 2378 | 4289 | 1577 | 3061.860465116279 | 137.8659193493657 | 2928 | 1107 | 3305 | 4573 | 2485 | 3232 | 2397 | 1886 | 2451 | 3121 | 3109 | 2008 | 2716.833333333333 | 252.7039780158804 | 345.0271317829456 | 0.2446053901879869 | 112.6996061020654 |  |  |  | 273450
281112 | 802983 | 232 | 281112 | 86:371.0 87:4.0 88:64.0 89:782.0 90:14.0 97:580.0 98:1002.0 100:247.0 101:379.0 102:333.0 103:4389.0 104:367.0 106:12.0 111:151.0 114:456.0 115:160.0 116:1503.0 117:712.0 118:5.0 120:37.0 128:1747.0 129:100.0 130:512.0 131:101.0 132:178.0 133:79.0 142:3.0 |  |  |  | 20018 | 9761 | 12903 | 21894 | 15113 | 12771 | 10230 | 8855 | 13217 | 14823 | 3155 | 19788 | 7803 | 13698 | 25598 | 23652 | 19760 | 12049 | 18006 | 24721 | 11704 | 21407 | 5166 | 2102 | 21768 | 19610 | 7850 | 22983 | 14991 | 21008 | 27064 | 7006 | 9606 | 42360 | 19608 | 11453 | 10809 | 21863 | 10341 | 12039 | 17680 | 4025 | 13608 | 15438.74418604651 | 1172.401707229735 | 17589 | 8650 | 12895 | 23422 | 19196 | 28301 | 8164 | 6310 | 5108 | 16831 | 3469 | 15250 | 13765.41666666667 | 2227.746648108031 | 1673.327519379845 | 0.5082053483402783 | 112.1560252035949 |  |  |  | 281112
kynurenine | 769271 | 218 | 226885 | 85:381.0 86:276.0 87:326.0 88:173.0 89:159.0 90:265.0 91:224.0 92:126.0 93:220.0 95:87.0 97:439.0 98:62.0 99:241.0 100:1416.0 101:803.0 102:339.0 103:354.0 104:68.0 105:39.0 107:271.0 108:20.0 110:191.0 111:212.0 112:77.0 113:49.0 114:138.0 115:199.0 116: | 161166 | [NAME] |  | 585 | 603 | 1070 | 863 | 1169 | 720 | 750 | 1008 | 548 | 953 | 718 | 496 | 462 | 582 | 906 | 1190 | 1620 | 924 | 662 | 787 | 1048 | 481 | 475 | 721 | 1039 | 839 | 1290 | 1204 | 1125 | 1006 | 765 | 638 | 671 | 735 | 780 | 1132 | 418 | 1154 | 900 | 902 | 1788 | 1514 | 225 | 871.3023255813954 | 49.9284042763344 | 474 | 446 | 751 | 597 | 1801 | 732 | 330 | 1525 | 292 | 924 | 782 | 694 | 779 | 132.2320045613127 | 92.3023255813954 | 0.4337967440501226 | 111.8488222825925 |  |  |  | kynurenine
281158 | 500924 | 240 | 281158 | 89:2298.0 91:2315.0 92:247.0 93:59.0 94:40.0 107:321.0 117:341.0 118:32.0 120:31.0 123:13.0 132:329.0 134:409.0 136:175.0 143:66.0 146:200.0 150:298.0 160:90.0 161:37.0 162:59.0 164:58.0 176:1297.0 177:88.0 184:5.0 190:1.0 192:99.0 199:219.0 208:47.0 212: |  |  |  | 1350 | 452 | 1971 | 1565 | 2825 | 1355 | 1859 | 834 | 601 | 2051 | 573 | 3219 | 889 | 1419 | 2737 | 1285 | 2698 | 723 | 597 | 2255 | 1411 | 2294 | 508 | 713 | 2907 | 1523 | 808 | 2575 | 2107 | 2455 | 1123 | 1048 | 680 | 3434 | 2146 | 1775 | 663 | 3047 | 844 | 782 | 2113 | 416 | 1123 | 1575.651162790698 | 132.8582033478237 | 778 | 828 | 1082 | 2397 | 2999 | 1388 | 1644 | 1648 | 784 | 2309 | 514 | 557 | 1410.666666666667 | 233.3420344697994 | 164.984496124031 | 0.558622768747248 | 111.6954983074691 |  |  |  | 281158
phenylalanine | 538016 | 218 | 217642 | 85:372.0 86:1654.0 87:562.0 88:174.0 89:1170.0 90:620.0 91:14880.0 92:2198.0 93:379.0 94:39.0 95:111.0 96:36.0 97:147.0 98:179.0 99:132.0 100:14537.0 101:2108.0 102:1308.0 103:2054.0 104:513.0 105:614.0 106:68.0 107:170.0 108:5.0 109:25.0 110:22.0 111:4.0 | 6140 | [NAME] |  | 57541 | 46816 | 76377 | 66660 | 75682 | 72561 | 57460 | 44492 | 59379 | 81992 | 48253 | 79910 | 58979 | 60160 | 70952 | 59781 | 90508 | 51526 | 42066 | 75982 | 67370 | 70627 | 48512 | 53459 | 83315 | 49877 | 56469 | 74555 | 69113 | 68685 | 68863 | 58591 | 53006 | 75915 | 67094 | 68478 | 56678 | 92414 | 49535 | 44998 | 85053 | 67640 | 35618 | 63789.34883720931 | 2077.848509502718 | 56180 | 43636 | 62099 | 56733 | 84993 | 66380 | 30423 | 93016 | 31768 | 67263 | 56596 | 42701 | 57649 | 5519.919038986867 | 6140.348837209305 | 0.2133885558245621 | 110.6512668688257 |  |  |  | phenylalanine
levoglucosan | 569799 | 204 | 199201 | 85:466.0 86:80.0 87:101.0 88:30.0 89:186.0 90:11.0 91:69.0 93:36.0 94:26.0 95:59.0 96:110.0 97:529.0 98:179.0 99:235.0 100:83.0 101:784.0 102:50.0 103:1304.0 104:116.0 105:98.0 107:28.0 108:28.0 109:81.0 110:142.0 111:297.0 112:66.0 113:414.0 114:113.0 11 | 2724705 |  |  | 1177 | 3120 | 1538 | 1418 | 4605 | 1737 | 2527 | 1838 | 2116 | 1227 | 2140 | 1705 | 1451 | 1536 | 1591 | 1914 | 7180 | 1170 | 9986 | 1417 | 2360 | 2574 | 1126 | 2947 | 1316 | 1332 | 1883 | 4163 | 1868 | 1990 | 1352 | 1534 | 2216 | 1440 | 1510 | 6513 | 2832 | 1507 | 1909 | 2103 | 1284 | 1679 | 756 | 2315.976744186046 | 269.1830273289207 | 3125 | 1904 | 1623 | 2685 | 2564 | 2222 | 2098 | 2710 | 1707 | 3543 | 710 | 573 | 2122 | 257.5496127551021 | 193.9767441860463 | 0.7157720554213682 | 109.1412226289372 |  |  |  | levoglucosan
227364 | 572785 | 314 | 227364 | 85:596.0 86:2113.0 87:420.0 88:1420.0 89:894.0 90:99.0 91:175.0 92:544.0 93:143.0 94:31.0 96:1.0 98:10.0 99:140.0 100:4984.0 101:1784.0 102:3973.0 103:8654.0 104:1232.0 107:828.0 108:917.0 109:39.0 110:12909.0 111:633.0 112:177.0 113:533.0 114:1691.0 115: |  |  |  | 2299 | 3737 | 771 | 2652 | 760 | 2038 | 3669 | 3241 | 3473 | 1223 | 5139 | 1255 | 3362 | 1562 | 712 | 2580 | 535 | 3506 | 3364 | 830 | 1894 | 1312 | 4790 | 4163 | 872 | 1666 | 3669 | 1116 | 1044 | 588 | 1898 | 2165 | 4247 | 554 | 1234 | 2642 | 3092 | 854 | 2374 | 3378 | 1816 | 6782 | 1140 | 2325.53488372093 | 221.2237392335736 | 527 | 3793 | 2747 | 1257 | 555 | 1619 | 1060 | 2529 | 1295 | 2185 | 4047 | 4060 | 2139.5 | 375.6085869706131 | 186.0348837209303 | 0.690016940714028 | 108.6952504660402 |  |  |  | 227364
239883 | 869427 | 290 | 239883 | 85:77.0 86:45.0 90:11.0 94:74.0 95:173.0 96:102.0 98:290.0 99:184.0 100:121.0 101:46.0 103:1453.0 104:58.0 107:140.0 108:21.0 109:149.0 111:91.0 112:27.0 114:53.0 115:7.0 116:184.0 117:22.0 118:34.0 120:8.0 123:24.0 125:12.0 126:77.0 128:5.0 129:1889.0 13 |  |  |  | 3389 | 3954 | 2933 | 3188 | 3662 | 1470 | 3230 | 4032 | 3751 | 3643 | 3225 | 3170 | 3004 | 2992 | 2740 | 3154 | 2072 | 2509 | 3243 | 3412 | 1768 | 2642 | 2842 | 3762 | 2915 | 3349 | 3661 | 2539 | 2168 | 1398 | 3397 | 2325 | 4601 | 2438 | 2593 | 2223 | 3894 | 1528 | 3411 | 5164 | 1676 | 4979 | 1250 | 3006.883720930232 | 138.3653829207689 | 2824 | 2550 | 3948 | 2583 | 2372 | 3507 | 2386 | 2383 | 3556 | 2514 | 2015 | 2684 | 2776.833333333333 | 168.1665765684356 | 230.0503875968989 | 0.4109287973227495 | 108.2846307279359 |  |  |  | 239883
281200 | 816855 | 445 | 281200 | 85:57.0 88:11.0 89:91.0 93:3.0 96:428.0 97:632.0 98:156.0 99:201.0 100:96.0 101:4.0 102:2.0 103:272.0 104:26.0 108:89.0 110:178.0 111:6.0 112:26.0 114:371.0 115:7.0 116:25.0 121:2.0 124:164.0 125:1.0 128:96.0 129:164.0 135:1.0 138:79.0 139:1.0 140:67.0 14 |  |  |  | 1446 | 490 | 1268 | 2129 | 1126 | 1611 | 927 | 1016 | 414 | 1806 | 408 | 1311 | 707 | 493 | 1324 | 1452 | 1167 | 1246 | 1139 | 1311 | 1354 | 1661 | 526 | 514 | 1223 | 1185 | 526 | 1722 | 679 | 1842 | 986 | 955 | 953 | 2612 | 1364 | 943 | 841 | 2181 | 476 | 843 | 1944 | 463 | 771 | 1147.790697674419 | 81.21739525130013 | 498 | 1206 | 810 | 1772 | 843 | 1664 | 990 | 704 | 504 | 2111 | 396 | 1275 | 1064.416666666667 | 159.3254938955172 | 83.37403100775191 | 0.6361265321547547 | 107.8328377992094 |  |  |  | 281200
228144 | 800275 | 290 | 228144 | 86:372.0 89:1212.0 98:109.0 99:11.0 100:1579.0 101:728.0 102:23900.0 103:8562.0 104:933.0 112:90.0 113:10.0 114:1145.0 115:292.0 116:615.0 117:840.0 118:20.0 124:35.0 128:5294.0 129:3745.0 130:1690.0 131:351.0 132:684.0 133:2409.0 134:192.0 140:120.0 142: |  |  |  | 4045 | 1797 | 2451 | 4916 | 2547 | 2416 | 2177 | 1638 | 2334 | 2922 | 668 | 3769 | 1674 | 2686 | 5455 | 4502 | 4769 | 2279 | 3639 | 5184 | 2201 | 4527 | 849 | 497 | 4213 | 3737 | 1352 | 4742 | 2976 | 4700 | 5606 | 1458 | 1877 | 9324 | 4026 | 2172 | 1996 | 4558 | 1706 | 2314 | 3717 | 786 | 2879 | 3118.162790697675 | 260.0433070037038 | 3689 | 1692 | 2380 | 5287 | 4396 | 5801 | 1528 | 1243 | 825 | 3810 | 838 | 3217 | 2892.166666666667 | 498.6126636817786 | 225.9961240310081 | 0.6872159904332233 | 107.8140767831848 |  |  |  | 228144
228583 | 302763 | 216 | 228583 | 85:1599.0 86:924.0 87:910.0 88:112.0 89:11719.0 90:840.0 91:801.0 94:232.0 95:18.0 96:3.0 98:1381.0 99:549.0 100:3232.0 101:22.0 103:2239.0 104:298.0 106:92.0 107:1290.0 108:694.0 109:170.0 110:1346.0 111:57.0 112:207.0 113:2453.0 114:1635.0 115:360.0 116 |  |  |  | 2819 | 1111 | 1844 | 2192 | 3374 | 1810 | 3055 | 262 | 1329 | 2948 | 1713 | 3735 | 1451 | 1666 | 4603 | 1327 | 4284 | 364 | 2483 | 2012 | 1202 | 1547 | 1389 | 1081 | 3099 | 1050 | 1342 | 3556 | 1585 | 4994 | 2347 | 1140 | 2258 | 5192 | 1019 | 913 | 1036 | 3135 | 1002 | 2083 | 2719 | 892 | 991 | 2091.953488372093 | 186.5182023707116 | 1598 | 3064 | 921 | 2733 | 2658 | 2268 | 2378 | 2658 | 292 | 2306 | 1118 | 1295 | 1940.75 | 251.052153370811 | 151.203488372093 | 0.6909663052435697 | 107.7909822683031 |  |  |  | 228583
241572 | 1082682 | 299 | 241572 | 86:52.0 91:129.0 93:633.0 94:4.0 95:847.0 97:418.0 98:244.0 99:327.0 101:140.0 103:291.0 104:32.0 105:679.0 106:454.0 107:170.0 108:243.0 109:493.0 110:215.0 111:181.0 112:20.0 113:117.0 116:337.0 117:593.0 118:100.0 119:18.0 120:43.0 121:505.0 122:208.0 |  |  |  | 1463 | 254 | 1315 | 2244 | 232 | 436 | 410 | 161 | 466 | 1956 | 885 | 1546 | 1026 | 1986 | 301 | 2369 | 2219 | 313 | 1225 | 2020 | 336 | 2662 | 647 | 598 | 1029 | 577 | 799 | 2202 | 573 | 1824 | 3113 | 555 | 1391 | 1067 | 2465 | 592 | 239 | 2294 | 952 | 1953 | 2367 | 755 | 818 | 1224.06976744186 | 125.374501653399 | 375 | 197 | 1283 | 3820 | 1206 | 814 | 194 | 1413 | 1770 | 1114 | 1030 | 431 | 1137.25 | 284.3075885801194 | 86.81976744186045 | 0.7579467738458987 | 107.6341848706846 |  |  |  | 241572
aspartic acid | 480543 | 232 | 199612 | 85:102.0 86:172.0 87:46.0 88:27.0 89:23.0 90:5.0 91:18.0 92:1.0 93:25.0 95:10.0 96:2.0 98:114.0 99:75.0 100:3517.0 101:373.0 102:175.0 103:206.0 104:21.0 105:16.0 106:1.0 107:17.0 108:3.0 109:7.0 110:18.0 112:4.0 113:11.0 114:46.0 115:150.0 116:123.0 117: | 5960 | C00049 |  | 8528 | 4425 | 9263 | 6028 | 7019 | 3735 | 14140 | 3579 | 3409 | 6048 | 3692 | 5983 | 4120 | 5149 | 5930 | 4432 | 6584 | 3283 | 3148 | 3694 | 4844 | 6695 | 4761 | 3704 | 5181 | 5862 | 3734 | 6705 | 9834 | 4441 | 5484 | 6525 | 19465 | 5957 | 6810 | 4429 | 3676 | 6523 | 4212 | 3303 | 6917 | 5460 | 4169 | 5834.418604651163 | 455.2216565863303 | 3786 | 3296 | 4689 | 17432 | 7675 | 8732 | 3398 | 3820 | 2518 | 4332 | 2764 | 2716 | 5429.833333333333 | 1226.836377629367 | 404.5852713178301 | 0.707743034729208 | 107.4511545102888 |  |  |  | aspartic acid
erythritol | 471274 | 205 | 200514 | 85:484.0 86:98.0 87:344.0 88:306.0 89:1360.0 90:159.0 91:1305.0 92:413.0 93:938.0 94:98.0 95:309.0 96:42.0 97:75.0 98:38.0 99:347.0 100:100.0 101:2368.0 102:343.0 103:8246.0 104:765.0 105:496.0 106:52.0 107:192.0 108:40.0 110:104.0 111:112.0 112:29.0 113: | 222285 | C00503 |  | 3349 | 8570 | 4052 | 2173 | 6321 | 4047 | 3258 | 2824 | 2506 | 3682 | 3030 | 2538 | 4950 | 2894 | 4668 | 3550 | 4609 | 3462 | 4934 | 4871 | 4272 | 3811 | 2925 | 4032 | 2614 | 4588 | 2279 | 4060 | 3844 | 4541 | 7039 | 3426 | 2661 | 3845 | 3320 | 6428 | 5482 | 3080 | 641 | 5355 | 5078 | 1265 | 1299 | 3864.488372093023 | 233.318544157386 | 3220 | 1962 | 4960 | 4054 | 5381 | 4830 | 1881 | 3014 | 2111 | 3650 | 4252 | 4022 | 3611.416666666667 | 344.7399427924847 | 253.0717054263569 | 0.5993383388471029 | 107.0075465886339 |  |  |  | erythritol
N-methylalanine | 286258 | 130 | 205663 | 86:191.0 87:45.0 88:27.0 89:4.0 91:12.0 93:41.0 94:19.0 96:29.0 97:6.0 98:152.0 99:11.0 100:465.0 101:117.0 102:65.0 103:157.0 104:2.0 105:14.0 106:6.0 107:6.0 109:9.0 111:4.0 112:19.0 113:12.0 114:188.0 115:78.0 116:14.0 117:66.0 118:19.0 119:22.0 120:1. | 5288725 | C02721 |  | 54229 | 35280 | 32592 | 33908 | 37742 | 61995 | 39452 | 90461 | 58195 | 48564 | 2843 | 64769 | 40271 | 65277 | 84490 | 47111 | 60610 | 40836 | 69316 | 40931 | 51483 | 53023 | 49399 | 108996 | 105418 | 18583 | 46603 | 52437 | 42162 | 110752 | 80484 | 46430 | 45126 | 58708 | 41095 | 41027 | 32872 | 81215 | 29744 | 34504 | 48761 | 157060 | 37355 | 55397.88372093023 | 4231.54079054259 | 58477 | 58669 | 47614 | 45103 | 28751 | 60015 | 25226 | 61214 | 45680 | 32273 | 106577 | 52675 | 51856.16666666666 | 6134.655049245421 | 3541.717054263565 | 0.6842675841462031 | 106.829885974854 |  |  |  | N-methylalanine
glycolic acid | 229810 | 177 | 216047 | 85:1.0 87:58.0 88:215.0 89:62.0 90:2.0 94:14.0 95:19.0 96:7.0 97:4.0 100:9.0 101:33.0 102:23.0 103:534.0 104:4.0 105:16.0 106:3.0 107:9.0 108:3.0 112:2.0 113:51.0 115:32.0 117:473.0 118:1.0 119:31.0 122:1.0 126:1.0 131:388.0 132:83.0 133:816.0 134:40.0 13 | 757 | C00160 |  | 4985 | 6679 | 8308 | 8183 | 9113 | 7097 | 8925 | 12221 | 10980 | 8478 | 7267 | 9529 | 8961 | 7259 | 11144 | 5374 | 9025 | 8904 | 7350 | 6057 | 6748 | 7747 | 8569 | 11912 | 11697 | 7740 | 9516 | 9975 | 5594 | 8149 | 7633 | 5541 | 54695 | 10072 | 9150 | 4142 | 11385 | 12466 | 5677 | 5615 | 11143 | 12479 | 5300 | 9506.60465116279 | 1128.561942849292 | 7849 | 8277 | 8559 | 9036 | 15902 | 7204 | 5164 | 8207 | 8537 | 9457 | 4780 | 13968 | 8911.666666666666 | 917.2970862509289 | 594.937984496124 | 0.7880826529841218 | 106.6759452159655 |  |  |  | glycolic acid
glutamic acid | 527101 | 246 | 227977 | 85:357.0 86:526.0 87:203.0 88:137.0 91:2.0 95:16.0 96:64.0 98:361.0 99:127.0 100:1856.0 101:834.0 102:139.0 106:42.0 110:308.0 112:138.0 113:259.0 114:407.0 115:392.0 116:128.0 117:786.0 119:204.0 126:14.0 128:6367.0 129:1190.0 130:1088.0 131:692.0 132:55 | 33032 | C00025 |  | 50761 | 31735 | 61440 | 41363 | 52430 | 24523 | 45621 | 45713 | 38787 | 42115 | 34680 | 50306 | 14511 | 29354 | 41297 | 38976 | 44542 | 25679 | 31046 | 30105 | 30294 | 31311 | 27472 | 22557 | 24098 | 61646 | 23568 | 51744 | 41639 | 28982 | 38835 | 22436 | 28963 | 34366 | 50367 | 20184 | 27531 | 37460 | 54323 | 38937 | 72275 | 26040 | 14471 | 36848.44186046511 | 1981.539005926203 | 36829 | 42257 | 33252 | 82738 | 40159 | 53643 | 17835 | 25373 | 22682 | 24303 | 17420 | 18677 | 34597.33333333334 | 5462.81125502985 | 2251.108527131779 | 0.6346520331742057 | 106.5065954807647 |  |  |  | glutamic acid
226850 | 385813 | 183 | 226850 | 85:1893.0 87:6891.0 88:2235.0 89:697.0 91:57.0 92:89.0 93:72.0 95:281.0 96:126.0 97:455.0 98:916.0 99:938.0 100:2511.0 101:4662.0 102:1076.0 103:2024.0 104:539.0 105:417.0 106:282.0 107:71.0 108:580.0 109:424.0 110:1774.0 111:341.0 112:95.0 113:1075.0 114 |  |  |  | 8990 | 9881 | 11030 | 14076 | 10050 | 9896 | 5669 | 7441 | 10178 | 5193 | 2381 | 11546 | 1537 | 7360 | 9259 | 6784 | 8871 | 19240 | 6755 | 10274 | 14686 | 11106 | 14731 | 1906 | 7957 | 6168 | 16615 | 11427 | 11190 | 7687 | 12342 | 1319 | 6312 | 6629 | 16091 | 1646 | 15982 | 11196 | 7359 | 16922 | 9960 | 4567 | 5442 | 9201.186046511628 | 675.6737675464417 | 9244 | 16121 | 4342 | 12993 | 6626 | 12623 | 5366 | 4613 | 10697 | 4570 | 4149 | 12374 | 8643.166666666666 | 1217.037341832263 | 558.0193798449618 | 0.6983883568535255 | 106.4561913632538 |  |  |  | 226850
228612 | 756779 | 230 | 228612 | 85:203.0 86:145.0 87:22.0 88:1.0 89:1116.0 90:291.0 93:179.0 95:26.0 97:124.0 99:841.0 100:1887.0 101:1880.0 102:193.0 103:3215.0 104:231.0 105:79.0 106:294.0 107:63.0 108:150.0 109:1.0 110:170.0 112:110.0 113:141.0 114:719.0 115:331.0 116:613.0 117:3501. |  |  |  | 1061 | 1249 | 1478 | 1478 | 1432 | 2067 | 1063 | 1687 | 769 | 1543 | 983 | 1556 | 1193 | 858 | 2216 | 1323 | 1142 | 1523 | 1158 | 1338 | 1290 | 2851 | 1531 | 1777 | 1502 | 1260 | 859 | 1929 | 1434 | 1562 | 1837 | 1651 | 1220 | 1338 | 1844 | 1645 | 1188 | 1292 | 2029 | 1682 | 1007 | 1142 | 803 | 1436.976744186047 | 62.54818287465655 | 1301 | 658 | 2038 | 1202 | 2719 | 736 | 1364 | 959 | 1446 | 635 | 812 | 2478 | 1362.333333333333 | 203.4026955712647 | 74.64341085271326 | 0.640086799464155 | 105.479085699979 |  |  |  | 228612
228018 | 563074 | 275 | 228018 | 85:202.0 86:778.0 87:10.0 88:57.0 89:4162.0 90:410.0 91:189.0 93:10.0 97:127.0 98:215.0 99:41.0 100:2902.0 101:453.0 102:1326.0 103:1212.0 104:93.0 105:34.0 108:62.0 109:137.0 110:124.0 111:17.0 112:227.0 113:306.0 114:874.0 115:256.0 116:580.0 117:136.0 |  |  |  | 177 | 1198 | 1181 | 1950 | 1103 | 1576 | 1235 | 2124 | 1505 | 1958 | 1731 | 1514 | 890 | 942 | 1748 | 1933 | 2275 | 1911 | 1692 | 1845 | 1832 | 1388 | 1065 | 1834 | 1566 | 1556 | 1517 | 1653 | 2010 | 2040 | 1076 | 1423 | 878 | 1748 | 2584 | 971 | 1703 | 2028 | 767 | 1495 | 1568 | 2034 | 1135 | 1543.232558139535 | 71.31648332785147 | 1379 | 2145 | 1194 | 1541 | 1945 | 1571 | 1022 | 967 | 1276 | 1024 | 1730 | 1788 | 1465.166666666667 | 111.4524516998123 | 78.06589147286809 | 0.5989535169877744 | 105.3281236359596 |  |  |  | 228018
4-hydroxyproline | 481319 | 140 | 227980 | 91:147.0 92:30.0 93:85.0 97:12.0 98:1289.0 99:239.0 100:1497.0 101:156.0 102:37.0 104:110.0 105:70.0 109:45.0 110:249.0 111:118.0 112:34.0 113:229.0 117:42.0 124:163.0 129:180.0 131:210.0 135:74.0 139:7.0 140:7933.0 141:850.0 142:727.0 143:72.0 150:9.0 15 | 825 | C01015 |  | 8338 | 9198 | 8634 | 11274 | 10569 | 13498 | 16628 | 9791 | 39928 | 16582 | 5172 | 15195 | 3664 | 9370 | 46940 | 12160 | 18910 | 29252 | 13830 | 8805 | 22852 | 15323 | 1865 | 4250 | 13220 | 10952 | 13823 | 17924 | 18022 | 34282 | 11083 | 27364 | 16402 | 29339 | 19040 | 34585 | 20663 | 14896 | 11025 | 10671 | 24743 | 12641 | 10981 | 16364.74418604651 | 1486.441072907345 | 10739 | 15143 | 10713 | 13311 | 40453 | 20889 | 7433 | 9529 | 16251 | 17458 | 15958 | 9397 | 15606.16666666667 | 2529.587644061754 | 758.5775193798454 | 0.8087379344509183 | 104.8607549540022 |  |  |  | 4-hydroxyproline
phosphoric acid | 344674 | 299 | 199165 | 85:1141.0 86:213.0 87:1561.0 88:399.0 89:1740.0 90:310.0 91:1827.0 92:509.0 93:635.0 94:79.0 95:146.0 96:332.0 97:66.0 98:187.0 99:189.0 100:388.0 102:553.0 103:4819.0 104:1286.0 105:4011.0 106:778.0 107:2556.0 108:270.0 109:902.0 110:31.0 111:43.0 112:70 | 1004 | C00009 |  | 1345570 | 1280358 | 1282996 | 1195604 | 1418598 | 932026 | 1504954 | 1653359 | 949434 | 1513446 | 1225470 | 1822006 | 1289047 | 1086871 | 1952693 | 1237709 | 1435691 | 1121260 | 1263918 | 1492908 | 1110188 | 1526226 | 1517675 | 845343 | 1678079 | 1188852 | 1517666 | 1508501 | 997340 | 1579010 | 1399508 | 1293878 | 1300029 | 2196027 | 1579013 | 1526028 | 1058861 | 1693561 | 970753 | 1284665 | 1527808 | 1406740 | 706133 | 1358507.023255814 | 44831.98402897162 | 1516426 | 1235905 | 1918632 | 1439923 | 1778597 | 1354866 | 681454 | 1298067 | 1032305 | 1210845 | 1149909 | 1017589 | 1302876.5 | 97300.45057546956 | 55630.52325581387 | 0.576776763922753 | 104.2698232146956 |  |  |  | phosphoric acid
281080 | 944566 | 429 | 281080 | 85:1889.0 86:282.0 87:4508.0 88:830.0 89:999.0 90:42.0 91:888.0 93:40.0 95:233.0 96:2530.0 97:197.0 98:4.0 101:198.0 103:3776.0 104:382.0 105:1135.0 106:158.0 107:1238.0 108:71.0 109:71.0 110:107.0 112:199.0 114:18.0 115:1153.0 116:427.0 117:4799.0 118:10 |  |  |  | 666 | 700 | 651 | 678 | 872 | 619 | 3561 | 549 | 388 | 443 | 2080 | 961 | 173 | 294 | 659 | 641 | 607 | 669 | 646 | 52 | 662 | 424 | 847 | 823 | 686 | 616 | 772 | 715 | 639 | 502 | 646 | 625 | 19049 | 714 | 741 | 404 | 789 | 637 | 216 | 472 | 558 | 1298 | 344 | 1141.581395348837 | 434.2965981230574 | 737 | 535 | 1323 | 984 | 678 | 513 | 308 | 463 | 636 | 261 | 6254 | 451 | 1095.25 | 476.5225061459704 | 46.3313953488373 | 0.957403132834499 | 104.2302118556346 |  |  |  | 281080
indole-3-acetate | 685195 | 202 | 223508 | 95:19.0 98:116.0 100:105.0 126:1.0 129:23.0 130:236.0 136:12.0 142:3.0 144:36.0 145:18.0 149:1206.0 150:18.0 158:7.0 160:108.0 170:47.0 174:5.0 186:224.0 200:57.0 201:3.0 202:3534.0 203:211.0 217:42.0 219:91.0 230:11.0 248:17.0 258:5.0 259:11.0 262:17.0 2 | 802 | C00954 |  | 1320 | 2356 | 6755 | 8722 | 2045 | 1175 | 3113 | 5523 | 2160 | 2554 | 8780 | 3115 | 2860 | 4628 | 4242 | 1147 | 10978 | 4022 | 2109 | 3877 | 5185 | 11143 | 3090 | 4393 | 7444 | 2898 | 1761 | 4545 | 4410 | 10688 | 3649 | 3846 | 3713 | 5810 | 7110 | 15428 | 3365 | 3468 | 1419 | 2627 | 2027 | 5539 | 1660 | 4574.395348837209 | 478.3331444231609 | 5590 | 3976 | 3439 | 3755 | 3724 | 4402 | 3413 | 9363 | 1876 | 6383 | 3111 | 4094 | 4427.166666666667 | 557.6404950478145 | 147.228682170542 | 0.8781671816972139 | 103.3255735158802 |  |  |  | indole-3-acetate
uric acid | 731185 | 441 | 221495 | 85:107.0 86:273.0 87:101.0 98:113.0 99:167.0 100:2033.0 101:228.0 102:67.0 103:49.0 105:15.0 107:30.0 110:47.0 111:68.0 113:29.0 114:57.0 115:104.0 116:54.0 117:172.0 120:2.0 124:15.0 125:57.0 126:3.0 127:117.0 128:33.0 130:359.0 131:959.0 132:224.0 133:3 | 1175 | C00366 |  | 109989 | 117281 | 120497 | 74974 | 160254 | 134241 | 190391 | 179160 | 65836 | 179765 | 139859 | 98607 | 119435 | 94139 | 144362 | 153907 | 180532 | 174489 | 161342 | 152180 | 141825 | 56087 | 124442 | 141909 | 130733 | 153135 | 63715 | 166434 | 205015 | 176542 | 192927 | 36064 | 118226 | 279503 | 179694 | 154183 | 171628 | 198835 | 102851 | 209293 | 234470 | 156221 | 61351 | 144333.0930232558 | 7649.074210284149 | 167839 | 130168 | 145014 | 198088 | 170179 | 166226 | 53446 | 266879 | 44890 | 64819 | 168302 | 106074 | 140160.3333333333 | 18689.9032494753 | 4172.759689922474 | 0.8121519790762401 | 102.9771331094074 |  |  |  | uric acid
225403 | 562683 | 243 | 225403 | 86:1199.0 89:93.0 98:1309.0 99:102.0 100:827.0 104:339.0 107:705.0 110:160.0 111:275.0 112:55.0 113:14.0 114:15.0 123:2.0 124:316.0 128:160.0 130:66.0 134:410.0 136:204.0 139:13.0 142:712.0 147:39.0 153:25.0 155:27.0 158:85.0 169:20.0 172:46.0 173:15.0 17 |  |  |  | 2803 | 2674 | 3264 | 5178 | 1751 | 2902 | 2949 | 7748 | 2713 | 5125 | 3954 | 5109 | 8591 | 6690 | 4193 | 4662 | 5318 | 3258 | 2433 | 3886 | 3809 | 2692 | 2495 | 4262 | 3143 | 2261 | 3929 | 4179 | 3018 | 5191 | 2132 | 11298 | 3582 | 4112 | 3716 | 9827 | 3376 | 4715 | 2668 | 2826 | 4138 | 6182 | 2685 | 4219.46511627907 | 310.3584241459508 | 3605 | 3769 | 4730 | 2741 | 5861 | 3122 | 2918 | 7127 | 2194 | 5805 | 4288 | 3207 | 4113.916666666667 | 431.5770491681489 | 105.5484496124027 | 0.8679790629051183 | 102.565643841734 |  |  |  | 225403
226888 | 580679 | 170 | 226888 | 90:94.0 92:4.0 98:896.0 99:83.0 100:1027.0 101:1.0 103:14.0 106:196.0 110:152.0 111:135.0 114:145.0 118:239.0 119:2.0 120:1.0 121:2.0 124:15.0 125:1.0 128:75.0 130:187.0 134:15.0 136:3.0 138:18.0 142:165.0 143:2.0 146:1.0 149:3.0 153:12.0 154:22.0 156:154 |  |  |  | 12344 | 7864 | 9644 | 11705 | 10187 | 10700 | 10343 | 9418 | 8846 | 9870 | 10222 | 6212 | 7698 | 5322 | 7321 | 10480 | 4991 | 7688 | 7707 | 8212 | 9742 | 8993 | 8281 | 7861 | 9388 | 7561 | 9121 | 6742 | 9214 | 6490 | 7144 | 7647 | 7663 | 5384 | 7475 | 8432 | 8606 | 6908 | 5977 | 9588 | 7240 | 9182 | 5970 | 8311.232558139534 | 259.4904898583386 | 6996 | 9800 | 8441 | 9811 | 2316 | 11008 | 6980 | 10016 | 9012 | 6866 | 8810 | 7261 | 8109.75 | 660.2947817934324 | 201.4825581395344 | 0.7384518192462228 | 102.4844484495766 |  |  |  | 226888
269969 | 410322 | 279 | 269969 | 85:1268.0 86:2086.0 88:6267.0 89:230.0 90:261.0 91:1969.0 92:964.0 93:2330.0 94:3637.0 95:4784.0 96:7258.0 97:2484.0 98:2829.0 99:732.0 100:1335.0 101:51.0 102:921.0 103:652.0 104:1175.0 105:447.0 106:697.0 107:14436.0 108:2138.0 109:4917.0 110:4377.0 111 |  |  |  | 6812 | 11705 | 3049 | 5149 | 3492 | 5920 | 1005 | 2009 | 5140 | 1491 | 6070 | 2119 | 8088 | 4115 | 2593 | 3198 | 3231 | 8921 | 3554 | 1223 | 4056 | 1613 | 5084 | 7111 | 2849 | 1300 | 9984 | 2604 | 4315 | 2155 | 6034 | 8991 | 4460 | 4077 | 1021 | 7118 | 8020 | 2624 | 3085 | 3727 | 2276 | 18607 | 3147 | 4724.232558139535 | 516.4125772924546 | 7353 | 1618 | 7668 | 2044 | 2737 | 4894 | 1582 | 4547 | 6124 | 3114 | 7145 | 6689 | 4626.25 | 676.7171214769138 | 97.98255813953529 | 0.9255880785380142 | 102.1179693734566 |  |  |  | 269969
citric acid | 617288 | 273 | 199168 | 85:3849.0 86:1455.0 87:4550.0 88:3181.0 89:2937.0 90:601.0 93:7393.0 94:929.0 95:8198.0 96:1942.0 97:7881.0 98:2221.0 99:22430.0 100:2888.0 101:7709.0 102:2368.0 103:11569.0 104:1985.0 105:3723.0 106:497.0 107:518.0 108:559.0 109:497.0 110:387.0 111:12750 | 311 | C00158 |  | 102175 | 110620 | 181752 | 163740 | 270651 | 201361 | 211650 | 180450 | 192172 | 189121 | 174481 | 195548 | 155916 | 171487 | 268326 | 179306 | 192993 | 176641 | 172768 | 280184 | 192801 | 174862 | 135396 | 198396 | 233653 | 168169 | 131236 | 124151 | 147473 | 221605 | 144688 | 144357 | 151989 | 160267 | 153368 | 223993 | 192471 | 227944 | 120448 | 154535 | 234920 | 195123 | 116165 | 179519.8139534884 | 6407.993729133948 | 147479 | 140859 | 187570 | 141702 | 253202 | 146874 | 119948 | 172641 | 153337 | 228374 | 142260 | 278869 | 176092.9166666667 | 14641.44695379811 | 3426.89728682171 | 0.8122325365837733 | 101.9460733297459 |  |  |  | citric acid
281118 | 1037677 | 309 | 281118 | 93:333.0 95:231.0 98:52.0 99:40.0 103:453.0 109:135.0 115:54.0 116:153.0 121:32.0 129:2645.0 141:19.0 142:4.0 144:56.0 163:209.0 164:47.0 177:175.0 178:54.0 193:646.0 194:295.0 197:13.0 205:398.0 206:31.0 207:1321.0 208:363.0 209:190.0 213:29.0 220:5.0 22 |  |  |  | 2883 | 2654 | 1990 | 2842 | 2674 | 653 | 2192 | 2429 | 84 | 1555 | 12262 | 5475 | 762 | 1214 | 3997 | 3569 | 3142 | 1497 | 2095 | 2260 | 2221 | 2041 | 2617 | 322 | 1904 | 3137 | 2340 | 2735 | 1185 | 2017 | 2829 | 838 | 1610 | 3069 | 1507 | 993 | 5993 | 4864 | 1383 | 1784 | 1388 | 1589 | 1970 | 2478.255813953489 | 299.1636590532733 | 1283 | 3111 | 3007 | 3519 | 1337 | 102 | 1882 | 900 | 3618 | 3153 | 1977 | 5405 | 2441.166666666667 | 422.3138613338988 | 37.08914728682203 | 0.9517659229189113 | 101.5193205688601 |  |  |  | 281118
223495 | 538501 | 170 | 223495 | 85:321.0 86:361.0 88:192.0 90:145.0 91:519.0 92:101.0 93:151.0 94:913.0 95:42.0 96:1144.0 97:364.0 98:3919.0 99:412.0 100:1875.0 101:192.0 102:1163.0 106:289.0 107:709.0 108:922.0 109:238.0 110:1003.0 111:53.0 112:288.0 113:335.0 114:466.0 115:364.0 116:1 |  |  |  | 26890 | 14060 | 33106 | 33695 | 36278 | 28980 | 26031 | 23960 | 13534 | 31200 | 17433 | 31468 | 22048 | 18403 | 29947 | 24603 | 24514 | 16782 | 17591 | 26449 | 25707 | 27095 | 12952 | 22116 | 30108 | 21372 | 16694 | 27665 | 26144 | 24573 | 21611 | 26157 | 7461 | 32173 | 23559 | 33821 | 20617 | 31241 | 15183 | 16776 | 25810 | 13754 | 17827 | 23660.18604651163 | 1034.004830360621 | 14801 | 20259 | 26536 | 35428 | 18744 | 26085 | 24857 | 30207 | 16143 | 36154 | 16286 | 14571 | 23339.25 | 2235.231220244238 | 320.9360465116297 | 0.8887114407314246 | 101.3750915154156 |  |  |  | 223495
223536 | 521629 | 156 | 223536 | 86:100.0 87:72.0 88:636.0 89:43.0 93:15.0 94:150.0 98:1201.0 99:201.0 101:306.0 103:200.0 107:198.0 108:611.0 109:235.0 110:347.0 112:23.0 113:56.0 114:334.0 115:1.0 116:93.0 118:56.0 122:351.0 124:153.0 126:124.0 132:25.0 134:190.0 138:82.0 140:320.0 141 |  |  |  | 12613 | 6161 | 16010 | 16027 | 19269 | 15106 | 13173 | 10087 | 6007 | 15756 | 7355 | 16308 | 10392 | 9700 | 15422 | 11827 | 12470 | 7513 | 7634 | 13175 | 12508 | 13413 | 5510 | 9993 | 15193 | 10564 | 6891 | 14371 | 13333 | 12206 | 11577 | 13436 | 7621 | 15934 | 12306 | 16484 | 9543 | 15608 | 6564 | 6880 | 13396 | 5540 | 8687 | 11617.74418604651 | 556.5210707665194 | 6526 | 8498 | 15385 | 17729 | 9492 | 13112 | 12937 | 14354 | 6407 | 19238 | 7627 | 6385 | 11474.16666666667 | 1324.186078390051 | 143.5775193798454 | 0.9097868261956241 | 101.2513110847252 |  |  |  | 223536
2-hydroxyvaleric acid | 310750 | 131 | 218773 | 85:1140.0 86:325.0 87:79.0 88:41.0 89:349.0 90:12.0 94:13.0 95:1557.0 96:1414.0 97:153.0 98:157.0 99:228.0 100:481.0 101:220.0 103:65.0 105:6.0 106:3.0 107:100.0 110:2.0 111:68.0 112:145.0 113:440.0 114:198.0 115:2353.0 116:2204.0 117:816.0 118:74.0 119:6 | 98009 |  |  | 5567 | 6842 | 5205 | 6049 | . | 5697 | . | 4574 | 4656 | . | 6280 | . | 5233 | 11690 | . | . | . | 6139 | 9597 | . | 6348 | . | 6801 | 6577 | . | . | 7245 | . | . | . | 9254 | 4829 | 5224 | . | . | 6690 | 5707 | . | 5214 | 5208 | . | 7966 | . | 6441.333333333333 | 350.1246499911154 | 6798 | 7663 | 4634 | . | . | 8122 | . | 7299 | 6049 | . | 5619 | 4717 | 6362.625 | 466.7572379689774 | 78.70833333333303 | 0.9067287502838075 | 101.2370418393876 |  |  |  | 2-hydroxyvaleric acid
226867 | 735540 | 290 | 226867 | 86:64.0 87:146.0 88:292.0 90:31.0 91:1.0 93:104.0 94:31.0 95:42.0 97:112.0 98:1633.0 99:567.0 100:1729.0 101:145.0 102:117.0 103:3386.0 104:75.0 107:319.0 110:153.0 111:191.0 113:153.0 114:359.0 115:282.0 116:991.0 117:509.0 118:70.0 121:11.0 123:58.0 125 |  |  |  | 2863 | 1884 | 2066 | 3290 | 2135 | 1012 | 2220 | 663 | 972 | 1476 | 512 | 2175 | 2193 | 1240 | 2019 | 1561 | 4064 | 1948 | 1434 | 3601 | 974 | 1382 | 325 | 1317 | 3351 | 2013 | 1096 | 3404 | 1829 | 1685 | 1485 | 1432 | 1353 | 1712 | 991 | 1636 | 1641 | 1788 | 1024 | 1435 | 1397 | 1622 | 650 | 1741.162790697674 | 127.5246873380061 | 1318 | 1167 | 1898 | 2507 | 2556 | 2067 | 1829 | 1315 | 1131 | 2774 | 794 | 1399 | 1729.583333333333 | 185.2706643418125 | 11.57945736434112 | 0.9647945866898311 | 100.6694940417832 |  |  |  | 226867
behenic acid | 919675 | 117 | 203290 | 85:443.0 86:84.0 87:239.0 88:45.0 89:113.0 90:5.0 91:86.0 92:19.0 93:75.0 94:6.0 95:310.0 96:111.0 97:661.0 98:211.0 99:150.0 100:28.0 101:378.0 102:25.0 103:1615.0 104:96.0 105:114.0 106:5.0 107:39.0 109:98.0 110:13.0 111:239.0 112:35.0 113:56.0 114:9.0 | 8215 | C08281 |  | 42774 | 10453 | 6623 | 8607 | 6148 | 7225 | . |  | 8251 | 6341 | . | 6497 | 9242 | 8465 | 6260 | 6432 | 4765 | 9902 | 8342 | 6203 | 6409 | 6394 | 9535 |  | 5270 | 7634 | 11110 | 6885 | 5394 | 4297 | 7117 | 7489 | 29147 | 6081 | 5305 | 7770 | 9214 | 5623 | 7616 | 10066 | 6027 | . | 3480 | 8694.552631578947 | 1123.437910092985 | 9499 | 11727 | 9564 | 6270 | 5717 | 6638 | 5952 | 9526 | 12336 | 7329 | . | 10490 | 8640.727272727272 | 714.1557646608663 | 53.82535885167454 | 0.9800101916727951 | 100.6229262555429 |  |  |  | behenic acid
isothreonic acid | 489846 | 292 | 200467 | 85:155.0 86:70.0 89:322.0 90:41.0 91:85.0 92:73.0 93:234.0 96:28.0 98:28.0 99:31.0 101:76.0 102:1447.0 103:1824.0 104:203.0 105:115.0 106:38.0 108:13.0 110:10.0 112:44.0 113:75.0 114:25.0 116:110.0 117:2303.0 118:235.0 119:183.0 120:24.0 126:17.0 127:15.0 | 151152 |  |  | 6214 | 5222 | 5070 | 5598 | 8210 | 5238 | 6106 | 6556 | 5101 | 6919 | 5538 | 5427 | 4878 | 6316 | 6034 | 5704 | 7920 | 5872 | 7046 | 6385 | 7981 | 5668 | 5024 | 5349 | 4985 | 7251 | 4790 | 7163 | 5295 | 6664 | 7741 | 5616 | 4658 | 5685 | 7036 | 7902 | 6489 | 8829 | 6113 | 6574 | 7961 | 7719 | 3741 | 6222.976744186047 | 175.980947852478 | 5022 | 4705 | 6987 | 7242 | 7931 | 7459 | 3684 | 6404 | 4671 | 8734 | 4368 | 7201 | 6200.666666666667 | 471.9268422588872 | 22.31007751937977 | 0.9572523576638604 | 100.3598012716812 |  |  |  | isothreonic acid
creatinine | 502434 | 115 | 199603 | 85:33.0 86:125.0 87:4.0 88:21.0 89:2.0 91:138.0 92:33.0 93:3.0 94:1.0 97:3.0 98:24.0 99:272.0 100:2703.0 101:266.0 102:90.0 105:11.0 106:2.0 107:5.0 108:1.0 110:49.0 111:11.0 112:6.0 113:112.0 114:433.0 115:6116.0 116:644.0 117:253.0 118:19.0 126:17.0 127 | 588 | C00791 |  | 31912 | 16554 | 47025 | 37186 | 46603 | 27694 | 61984 | 20705 | 21938 | 34044 | 16644 | 55601 | 48513 | 55597 | 53494 | 37863 | 67044 | 21707 | 20864 | 56607 | 43597 | 58317 | 10505 | 21511 | 54109 | 33943 | 23945 | 69556 | 58557 | 55219 | 45759 | 44340 | 21199 | 86865 | 43209 | 93564 | 23211 | 61054 | 35500 | 25263 | 63266 | 32079 | 19929 | 41955.25581395349 | 2964.686924713099 | 31606 | 21213 | 47091 | 63425 | 77116 | 48223 | 27920 | 54467 | 17736 | 63874 | 22831 | 27705 | 41933.91666666666 | 5700.594027337872 | 21.3391472868243 | 0.9973388469452811 | 100.0508875606742 |  |  |  | creatinine
211382 | 773139 | 147 | 211382 | 85:2.0 86:6.0 87:5.0 89:4.0 93:1.0 99:6.0 100:5.0 101:5.0 103:13.0 104:3.0 107:5.0 109:26.0 110:1.0 111:8.0 112:3.0 113:24.0 115:3.0 116:2.0 117:1.0 119:5.0 120:2.0 121:7.0 125:7.0 126:7.0 127:20.0 128:1.0 129:136.0 130:3.0 131:34.0 132:6.0 133:147.0 134: |  |  |  | 32136 | 30539 | 13490 | 51570 | 22401 | 22750 | 24470 | 30705 | 24556 | 36675 | 29185 | 28922 | 17748 | 22554 | 39206 | 31604 | 27530 | 28178 | 45314 | 26239 | 16657 | 31158 | 16219 | 29169 | 39439 | 36705 | 22662 | 36073 | 21914 | 24767 | 36756 | 17082 | 33822 | 56725 | 31486 | 32361 | 25444 | 33200 | 20127 | 25237 | 28858 | 24417 | 18723 | 28948.20930232558 | 1374.294017715905 | 38370 | 20683 | 42539 | 46442 | 36185 | 34682 | 16936 | 18250 | 10101 | 29756 | 21669 | 33191 | 29067 | 3278.149803831978 | -118.7906976744198 | 0.9697379319898672 | 99.59132109376813 |  |  |  | 211382
isoleucine | 356931 | 158 | 205110 | 85:49.0 86:134.0 87:42.0 88:7.0 89:12.0 90:37.0 91:29.0 92:81.0 93:25.0 94:7.0 96:11.0 97:10.0 98:12.0 99:3.0 100:344.0 101:43.0 102:92.0 103:69.0 104:1.0 106:15.0 107:24.0 108:22.0 109:1.0 110:6.0 114:32.0 115:17.0 116:16.0 117:25.0 118:7.0 119:12.0 120: | 6306 | C00407 |  | 183259 | 193274 | 148279 | 160055 | 181097 | 154512 | 103485 | 47193 | 174906 | 126595 | 75796 | 135519 | 186543 | 141252 | 184059 | 136973 | 142155 | 191007 | 168587 | 130330 | 157044 | 92464 | 222162 | 90807 | 149764 | 148766 | 183227 | 183167 | 133188 | 181338 | 182164 | 156036 | 82032 | 95351 | 111347 | 187206 | 164550 | 122420 | 60427 | 173657 | 114657 | 113139 | 73396 | 142864.7674418605 | 6307.176067605137 | 202368 | 175012 | 182996 | 107661 | 100336 | 171550 | 80396 | 104096 | 238763 | 108931 | 84838 | 166230 | 143598.0833333333 | 15003.87868108248 | -733.3158914728847 | 0.9592703144150301 | 99.48932752133561 |  |  |  | isoleucine
1-hexadecanol | 679338 | 299 | 213408 | 85:5855.0 86:768.0 87:2701.0 88:1014.0 89:14519.0 90:1392.0 91:4241.0 92:351.0 93:261.0 94:58.0 95:1655.0 96:824.0 97:15257.0 98:1810.0 99:3243.0 100:578.0 101:7460.0 102:1024.0 103:18214.0 104:1657.0 105:757.0 106:2.0 107:101.0 108:3.0 109:530.0 110:181. | 2682 | C00823 |  | 1324 | 1681 | 1296 | 1409 | 3296 | 1183 | 11441 | 2244 | 996 | 2526 | 1338 | 2563 | 1801 | 1509 | 2452 | 1287 | 3183 | 1194 | 1414 | 2006 | 1158 | 2555 | 3339 | 1440 | 2314 | 2255 | 2443 | 2441 | 1128 | 2197 | 1409 | 1591 | 3779 | 3182 | 2234 | 2070 | 1348 | 2896 | 1539 | 1396 | 2317 | 1527 | 839 | 2175.348837209302 | 246.9515980654233 | 1871 | 1194 | 2485 | 3912 | 3872 | 895 | 2303 | 2512 | 1484 | 3138 | 1350 | 1571 | 2215.583333333333 | 291.8947365874807 | -40.23449612403101 | 0.9354050048057025 | 98.18402244146247 |  |  |  | 1-hexadecanol
isonicotinic acid | 367074 | 180 | 206136 | 86:33.0 90:179.0 91:54.0 92:2.0 94:27.0 102:8.0 105:112.0 106:3319.0 107:261.0 109:41.0 111:4.0 112:36.0 114:8.0 120:46.0 121:16.0 122:20.0 123:12.0 135:1.0 136:3703.0 137:519.0 138:137.0 144:5.0 153:1.0 161:4.0 162:12.0 163:1.0 164:24.0 167:48.0 174:8.0 | 5922 | C07446 |  | 1877 | 1002 | 1887 | 1671 | 1624 | 1123 | 6908 | 868 | 915 | 1468 | 1804 | 1818 | 1589 | 3300 | 1601 | 2439 | 2361 | 698 | 658 | 1040 | 1498 | 1575 | 1010 | 3757 | 1214 | 1125 | 952 | 1639 | 4708 | 1687 | 693 | 1158 | 6170 | 2569 | 3117 | 1461 | 778 | 2018 | 2158 | 785 | 1213 | 1816 | 2186 | 1905.53488372093 | 204.0743609418872 | 1403 | 647 | 1092 | 6859 | 3645 | 1899 | 1049 | 2624 | 753 | 1445 | 1210 | 728 | 1946.166666666667 | 512.7296799947071 | -40.6317829457364 | 0.9314574970454198 | 97.91221462983285 |  |  |  | isonicotinic acid
2-aminoadipic acid | 572700 | 260 | 213131 | 85:864.0 86:878.0 87:624.0 88:261.0 89:926.0 90:176.0 91:6.0 94:25.0 96:235.0 97:3.0 98:936.0 99:564.0 100:4884.0 101:1366.0 102:334.0 103:4605.0 104:443.0 105:319.0 106:102.0 108:362.0 109:99.0 110:48.0 111:67.0 112:444.0 113:191.0 114:432.0 115:2603.0 1 | 469 | C00956 |  | 544 | 449 | 631 | 721 | 443 | 401 | 681 | 403 | 514 | 698 | 442 | 523 | 362 | 646 | 498 | 740 | 696 | 569 | 509 | 433 | 776 | 450 | 434 | 193 | 181 | 663 | 371 | 551 | 391 | 579 | 319 | 339 | 521 | 623 | 644 | 552 | 589 | 837 | 665 | 574 | 433 | 410 | 249 | 517.3720930232558 | 23.20205969147361 | 671 | 456 | 215 | 725 | 532 | 819 | 290 | 589 | 319 | 500 | 718 | 528 | 530.1666666666666 | 54.21489694267665 | -12.79457364341079 | 0.8076903272374412 | 97.58668840426078 |  |  |  | 2-aminoadipic acid
threonine | 409403 | 117 | 199626 | 85:164.0 86:362.0 87:290.0 88:38.0 89:34.0 90:14.0 91:33.0 92:7.0 93:4.0 94:4.0 95:2.0 96:20.0 97:16.0 98:42.0 99:43.0 100:1349.0 101:2357.0 102:353.0 103:220.0 104:22.0 105:10.0 106:4.0 107:104.0 110:50.0 112:49.0 113:14.0 114:249.0 115:190.0 116:89.0 11 | 6288 | C00188 |  | 75236 | 79931 | 116866 | 88051 | 77677 | 85051 | 91334 | 50171 | 123565 | 102103 | 78184 | 168964 | 113779 | 101215 | 113245 | 131536 | 128157 | 76554 | 59272 | 88108 | 97585 | 85983 | 59462 | 98128 | 128186 | 82027 | 67714 | 116571 | 103404 | 124305 | 63564 | 192853 | 83437 | 118572 | 152014 | 75216 | 82966 | 117610 | 59998 | 59279 | 114256 | 134026 | 81033 | 98771.81395348837 | 4665.288945252747 | 126200 | 115562 | 92407 | 79073 | 141422 | 91673 | 90760 | 118054 | 58939 | 126666 | 74442 | 111882 | 102256.6666666667 | 7151.508837760442 | -3484.852713178305 | 0.7187278922443628 | 96.59205328437106 |  |  |  | threonine
281348 | 241383 | 151 | 281348 | 85:725.0 87:42.0 89:774.0 90:308.0 91:24173.0 92:1878.0 93:5005.0 94:197.0 95:26065.0 96:1106.0 98:5099.0 99:404.0 101:39.0 102:498.0 103:3687.0 104:1970.0 105:6276.0 106:825.0 107:3037.0 108:97.0 109:23175.0 110:4737.0 111:15712.0 112:2496.0 115:4817.0 1 |  |  |  | 29191 | 29545 | 38549 | 36761 | 34986 | 36427 | 37721 | 45193 | 31889 | 34851 | 10571 | 39760 | 38850 | 22691 | 37380 | 30584 | 34764 | 29549 | 31553 | 35963 | 29526 | 39039 | 25286 | 39123 | 32261 | 35429 | 32676 | 34364 | 25330 | 31210 | 24158 | 29997 | 230558 | 42353 | 44256 | 27022 | 31038 | 41755 | 19856 | 32288 | 40707 | 29877 | 21477 | 37357.3023255814 | 4719.391343474554 | 35680 | 40855 | 38070 | 43874 | 47433 | 36182 | 33760 | 36495 | 45617 | 40468 | 29065 | 36646 | 38678.75 | 1509.616332579543 | -1321.447674418603 | 0.8841802447925718 | 96.5835305576871 |  |  |  | 281348
glutamine | 600452 | 156 | 199776 | 85:177.0 86:247.0 87:91.0 88:20.0 89:36.0 90:14.0 92:11.0 93:3.0 94:6.0 95:10.0 96:7.0 97:5.0 98:138.0 99:366.0 100:947.0 101:207.0 102:139.0 103:205.0 104:21.0 105:8.0 106:4.0 107:25.0 108:7.0 110:32.0 111:14.0 112:252.0 113:161.0 114:557.0 115:453.0 116 | 5961 | C00064 |  | 427845 | 434370 | 526432 | 527817 | 426207 | 466491 | 454033 | 605794 | 472935 | 636142 | 518831 | 659477 | 462234 | 401561 | 505768 | 675249 | 709252 | 511751 | 481907 | 702563 | 587839 | 411290 | 278159 | 574704 | 668103 | 567611 | 558159 | 521383 | 607425 | 570122 | 365523 | 545305 | 316842 | 458136 | 691534 | 421123 | 518349 | 602916 | 328976 | 461067 | 382853 | 930854 | 357184 | 519351.5348837209 | 19264.64547548351 | 479048 | 631907 | 515658 | 577008 | 645328 | 507707 | 429345 | 506633 | 364209 | 586841 | 608555 | 637199 | 540786.5 | 25651.42868148897 | -21434.96511627908 | 0.585093652790567 | 96.03633502014583 |  |  |  | glutamine
pyrophosphate | 548254 | 451 | 213203 | 85:93.0 89:91.0 90:60.0 93:179.0 94:108.0 95:76.0 97:38.0 98:174.0 101:261.0 104:87.0 107:29.0 108:227.0 111:52.0 113:85.0 115:163.0 116:76.0 117:1911.0 118:142.0 119:88.0 121:95.0 124:37.0 126:41.0 127:246.0 128:40.0 129:894.0 131:420.0 132:623.0 133:532 | 1023 | C00013 |  | 12538 | 7926 | 14686 | 14580 | 18657 | 11641 | 11848 | 9262 | 11446 | 11895 | 8266 | 16428 | 9085 | 15522 | 18433 | 12107 | 17963 | 8319 | 10935 | 17630 | 11776 | 15755 | 7076 | 9849 | 19135 | 14565 | 9098 | 18625 | 13157 | 15295 | 11161 | 10145 | 8708 | 20409 | 15200 | 10042 | 10038 | 17332 | 9273 | 10411 | 15479 | 12350 | 8412 | 12847.86046511628 | 557.859314738317 | 11617 | 11074 | 12167 | 16768 | 20401 | 15856 | 10371 | 12130 | 10008 | 17005 | 10543 | 12703 | 13386.91666666667 | 955.1877846340689 | -539.0562015503874 | 0.6473113730000821 | 95.97326094594557 |  |  |  | pyrophosphate
269151 | 341172 | 130 | 269151 | 88:186.0 89:23.0 90:241.0 91:21.0 93:131.0 94:478.0 95:96.0 96:195.0 98:342.0 99:223.0 100:985.0 103:233.0 109:244.0 110:441.0 111:320.0 112:1297.0 113:429.0 114:2633.0 115:490.0 117:1156.0 118:264.0 121:113.0 124:29.0 128:165.0 129:64.0 130:10528.0 131:4 |  |  |  | 15336 | 17410 | 16150 | 13173 | 17960 | 16096 | 6471 | 15862 | 20595 | 11837 | 15359 | 12468 | 14917 | 19468 | 12370 | 12198 | 10656 | 18021 | 19888 | 7109 | 18399 | 16425 | 13443 | 9906 | 10011 | 18777 | 17798 | 16316 | 16516 | 7590 | 16540 | 14907 | 15211 | 12038 | 14900 | 11393 | 24654 | 8667 | 17265 | 23028 | 15801 | 21232 | 10341 | 14988.41860465116 | 634.4392788011065 | 13652 | 11775 | 12492 | 21589 | 10889 | 15825 | 6855 | 14143 | 27275 | 16784 | 19164 | 17198 | 15636.75 | 1551.495144598307 | -648.3313953488378 | 0.6564902851618055 | 95.8537970144126 |  |  |  | 269151
inositol myo- | 729867 | 305 | 199164 | 85:3012.0 86:683.0 87:4229.0 88:1173.0 89:2141.0 90:264.0 91:1051.0 92:435.0 93:343.0 94:183.0 95:507.0 96:215.0 97:761.0 98:556.0 99:3253.0 100:554.0 101:7623.0 102:2914.0 103:60634.0 104:6045.0 105:4298.0 106:438.0 107:409.0 108:109.0 109:1687.0 110:201 | 892 | C00137 |  | 21296 | 23357 | 31941 | 25372 | 36109 | 29911 | 34377 | 31664 | 35052 | 34076 | 38958 | 32760 | 23110 | 48980 | 35999 | 42949 | 42276 | 40046 | 34402 | 55365 | 52476 | 31736 | 26777 | 25534 | 34653 | 55830 | 34450 | 52007 | 43826 | 43784 | 48989 | 33811 | 29793 | 40730 | 34976 | 62413 | 39768 | 44501 | 25195 | 52132 | 71403 | 69247 | 19668 | 38876.72093023256 | 1872.162292755605 | 43991 | 28703 | 35824 | 42258 | 49497 | 61927 | 19693 | 36016 | 24861 | 56426 | 41718 | 45896 | 40567.5 | 3586.774036989819 | -1690.779069767443 | 0.6756139892910852 | 95.83218322606164 |  |  |  | inositol myo-
221569 | 425557 | 156 | 221569 | 86:75.0 88:136.0 89:193.0 90:36.0 91:158.0 92:140.0 93:26.0 94:31.0 95:68.0 96:12.0 97:310.0 98:140.0 99:40.0 100:358.0 101:14.0 103:9.0 104:167.0 106:74.0 107:294.0 108:53.0 109:151.0 110:924.0 111:292.0 112:128.0 114:107.0 116:41.0 118:23.0 119:22.0 124 |  |  |  | 11695 | 8242 | 11301 | 13679 | 15769 | 14149 | 14084 | 9657 | 9971 | 12883 | 11829 | 13651 | 6713 | 5203 | 13659 | 11904 | 12792 | 9749 | 11424 | 13865 | 11401 | 13972 | 11815 | 9278 | 15702 | 13149 | 9313 | 14472 | 11969 | 11107 | 8941 | 6217 | 8165 | 14570 | 13580 | 6281 | 11047 | 16663 | 6338 | 11946 | 10687 | 14557 | 7620 | 11418.81395348837 | 438.9941592124056 | 9669 | 11592 | 8860 | 17395 | 14343 | 13998 | 11194 | 6604 | 15027 | 12408 | 10458 | 11731 | 11939.91666666667 | 850.8006608602292 | -521.1027131782939 | 0.5834652280922499 | 95.63562520806292 |  |  |  | 221569
240439 | 584307 | 170 | 240439 | 85:1114.0 86:1694.0 87:16651.0 88:914.0 89:691.0 91:461.0 93:599.0 94:821.0 95:1099.0 96:2174.0 97:3392.0 98:6948.0 99:195.0 100:1142.0 101:2002.0 102:1350.0 103:2422.0 104:312.0 107:2702.0 108:1044.0 109:350.0 110:1331.0 111:765.0 112:1302.0 113:218.0 11 |  |  |  | 2647 | 1821 | 2324 | 2889 | 2432 | 2802 | 2635 | 1768 | 1968 | 2807 | 2231 | 2082 | 2050 | 1998 | 2076 | 2695 | 1810 | 1804 | 1924 | 2083 | 2065 | 2315 | 1583 | 2187 | 2325 | 2219 | 1944 | 2486 | 2377 | 1665 | 1856 | 1707 | 1789 | 1952 | 2107 | 2152 | 2077 | 2053 | 1467 | 1990 | 1948 | 2082 | 1670 | 2113.069767441861 | 52.2618036321003 | 1801 | 2206 | 2447 | 3118 | 1386 | 2584 | 2162 | 2824 | 2203 | 2307 | 1791 | 1735 | 2213.666666666667 | 141.8643362476626 | -100.5968992248058 | 0.4191369434898295 | 95.45564376337272 |  |  |  | 240439
221572 | 444313 | 170 | 221572 | 85:57.0 86:255.0 90:46.0 91:197.0 92:78.0 93:182.0 94:154.0 95:166.0 96:610.0 97:406.0 99:84.0 100:634.0 102:62.0 105:63.0 107:379.0 108:53.0 109:36.0 110:1024.0 111:210.0 112:79.0 113:27.0 114:83.0 115:43.0 116:78.0 117:71.0 118:116.0 120:14.0 123:19.0 1 |  |  |  | 5179 | 3511 | 4878 | 6041 | 6381 | 5672 | 5959 | 3101 | 4811 | 5806 | 4487 | 7590 | 1739 | 2707 | 7784 | 5468 | 7710 | 3805 | 4768 | 7299 | 4830 | 6157 | 4914 | 3851 | 7545 | 5832 | 4193 | 6889 | 4271 | 6124 | 3661 | 1910 | 3308 | 8489 | 5854 | 1834 | 4890 | 9250 | 3088 | 5258 | 4694 | 3714 | 3338 | 5083.488372093023 | 273.2819085111251 | 4336 | 5076 | 3820 | 8058 | 8614 | 5658 | 4997 | 3219 | 6455 | 5070 | 3577 | 5049 | 5327.416666666667 | 482.4118769948111 | -243.9282945736441 | 0.6742344684062924 | 95.4212649425398 |  |  |  | 221572
281271 | 711045 | 451 | 281271 | 101:43.0 107:360.0 109:10.0 110:251.0 116:56.0 143:56.0 144:75.0 160:9.0 162:1007.0 163:9.0 164:117.0 172:24.0 176:60.0 177:134.0 185:110.0 188:131.0 203:39.0 208:22.0 211:36.0 217:63.0 218:3.0 232:11.0 234:78.0 235:137.0 236:240.0 237:40.0 249:87.0 250:5 |  |  |  | 1856 | 1810 | 2052 | 2172 | 2162 | 1820 | 1751 | 2052 | 1538 | 1750 | 1918 | 2364 | 1858 | 1916 | 1783 | 1745 | 1522 | 2003 | 1775 | 1910 | 1860 | 1954 | 1636 | 2171 | 1922 | 1709 | 2043 | 2193 | 1682 | 1825 | 1617 | 1695 | 2033 | 1948 | 2052 | 2046 | 1691 | 2004 | 1638 | 1941 | 1905 | 2114 | 1223 | 1875.790697674419 | 32.77453360935389 | 1946 | 1969 | 2068 | 2201 | 1646 | 2015 | 1626 | 2175 | 2137 | 2231 | 1830 | 1819 | 1971.916666666667 | 59.62451427072747 | -96.12596899224809 | 0.1730841879929292 | 95.12525196337329 |  |  |  | 281271
213353 | 695971 | 293 | 213353 | 85:397.0 86:1005.0 87:191.0 88:282.0 89:155.0 90:2.0 91:1166.0 92:36.0 93:230.0 95:6.0 97:904.0 98:19.0 99:2.0 100:174.0 101:47.0 103:372.0 104:47.0 105:929.0 107:190.0 109:134.0 110:71.0 112:3.0 114:12.0 115:817.0 116:562.0 117:397.0 118:146.0 119:849.0 |  |  |  | 4345 | 4437 | 5114 | 5765 | 5692 | 5265 | 4780 | 4938 | 4521 | 4917 | 5398 | 6072 | 4582 | 3958 | 5360 | 4562 | 4672 | 4727 | 4653 | 5379 | 4383 | 5345 | 4356 | 4789 | 5221 | 4732 | 4530 | 5968 | 4405 | 4511 | 4186 | 4265 | 5211 | 5652 | 5201 | 4835 | 4707 | 5717 | 4300 | 4899 | 4719 | 5739 | 3027 | 4879.883720930233 | 91.39587028105939 | 4378 | 5251 | 5386 | 5586 | 5706 | 5110 | 3949 | 5052 | 5401 | 6131 | 4412 | 5241 | 5133.583333333333 | 178.1591669340268 | -253.6996124031002 | 0.203155974894677 | 95.05804043822995 |  |  |  | 213353
lathosterol | 1095135 | 255 | 269290 | 85:1661.0 86:198.0 87:265.0 88:85.0 89:1625.0 90:195.0 91:25081.0 92:4410.0 93:15518.0 94:4159.0 95:20744.0 96:2605.0 97:3831.0 98:382.0 99:458.0 100:45.0 101:2392.0 102:388.0 103:1972.0 104:1210.0 105:23255.0 106:6154.0 107:18834.0 108:3827.0 109:8361.0 | 65728 | C01189 |  | 536 | 647 | 724 | 637 | 659 | 493 | 944 | . | 526 | 602 | . | 867 | 330 | 668 | 730 | 1525 | 673 | 522 | 603 | 778 | 448 | 498 | 360 |  | 603 | 415 | 504 | 568 | 358 | 866 | 352 | 276 | 249 | 945 | 500 | 501 | 682 | 665 | 623 | 378 | 643 | . | 436 | 598.3076923076923 | 36.81888696089744 | 773 | 503 | 462 | 715 | 838 | 718 | 526 | 684 | 492 | 709 | . | 511 | 630.0909090909091 | 40.02418690229801 | -31.78321678321686 | 0.6645567420849725 | 94.95577283775233 |  |  |  | lathosterol
281128 | 498007 | 156 | 281128 | 88:375.0 90:48.0 92:10.0 96:1.0 98:501.0 99:52.0 100:216.0 101:1.0 102:141.0 103:62.0 106:7.0 108:483.0 110:9264.0 111:728.0 112:28.0 113:18.0 114:3848.0 115:41.0 116:695.0 118:477.0 119:33.0 122:34.0 126:2.0 128:158.0 129:86.0 130:37.0 133:215.0 134:2481 |  |  |  | 6243 | 6849 | 7191 | 7118 | 7907 | 6165 | 5914 | 8063 | 5508 | 6860 | 7570 | 7875 | 6553 | 5618 | 7159 | 6685 | 6221 | 7032 | 5988 | 5888 | 6481 | 6966 | 5853 | 8283 | 7152 | 5246 | 7025 | 6163 | 5720 | 6333 | 5624 | 6126 | 6627 | 8006 | 6959 | 6453 | 5768 | 7477 | 4675 | 6883 | 7100 | 9061 | 4384 | 6622.604651162791 | 145.5914965767364 | 7415 | 7206 | 7242 | 6763 | 6846 | 6124 | 5784 | 7728 | 7933 | 7611 | 6712 | 6425 | 6982.416666666667 | 190.3504526478254 | -359.812015503876 | 0.2268754481526204 | 94.84688421386278 |  |  |  | 281128
223521 | 1166398 | 283 | 223521 | 85:153.0 95:206.0 96:208.0 97:111.0 100:42.0 109:59.0 110:14.0 111:80.0 113:58.0 120:29.0 123:26.0 124:7.0 129:1826.0 135:169.0 142:104.0 143:7.0 155:103.0 157:9.0 162:2.0 163:39.0 165:39.0 166:82.0 176:55.0 177:123.0 179:32.0 180:19.0 183:67.0 191:134.0 |  |  |  | 2810 | 2521 | 4197 | 3943 | 4027 | 1922 | 2325 | 2572 | 3034 | 2586 | 3262 | 4320 | 1379 | 2702 | 2562 | 183 | 3785 | 3908 | 2528 | 4410 | 1928 | 2852 | 3327 | 1931 | 5362 | 3165 | 2572 | 2418 | 2391 | 3486 | 4439 | 1087 | 2179 | 3526 | 2753 | 2032 | 2284 | 4651 | 1934 | 3706 | 2702 | 2208 | 1928 | 2879.930232558139 | 157.6330684516714 | 4400 | 3022 | 2975 | 3378 | 2826 | 4812 | 1416 | 1733 | 3183 | 2710 | 2698 | 3355 | 3042.333333333333 | 273.103247579343 | -162.4031007751942 | 0.6264714698205542 | 94.6618899712328 |  |  |  | 223521
tryptophan | 779834 | 202 | 199775 | 86:27.0 87:274.0 88:35.0 89:61.0 90:26.0 91:147.0 92:19.0 93:50.0 94:4.0 100:133.0 101:54.0 102:184.0 103:173.0 104:20.0 105:43.0 106:10.0 107:18.0 108:29.0 113:15.0 114:34.0 115:146.0 116:31.0 118:17.0 119:53.0 120:26.0 121:10.0 126:15.0 127:6.0 128:77.0 | 6305 | C00078 |  | 151130 | 128476 | 203393 | 186768 | 160550 | 161660 | 161612 | 171792 | 146976 | 180634 | 128903 | 168377 | 109656 | 110472 | 185852 | 163844 | 212410 | 145599 | 103093 | 197845 | 119555 | 188807 | 119343 | 194416 | 216129 | 108322 | 143125 | 243372 | 158311 | 123381 | 131554 | 148952 | 125985 | 196866 | 172298 | 112793 | 68977 | 254651 | 120317 | 118712 | 214933 | 145485 | 83785 | 155560.7209302326 | 6357.236442718006 | 181519 | 157475 | 183012 | 177553 | 204587 | 172169 | 99709 | 185241 | 104844 | 203794 | 141552 | 164659 | 164676.1666666667 | 9837.711982878996 | -9115.445736434107 | 0.4906647786610668 | 94.46462355728417 |  |  |  | tryptophan
224788 | 493150 | 228 | 224788 | 85:2304.0 86:1438.0 87:3224.0 88:78.0 90:26.0 91:287.0 93:87.0 94:336.0 97:694.0 98:8479.0 99:1237.0 100:1356.0 101:161.0 102:393.0 103:325.0 104:1.0 105:72.0 107:564.0 108:745.0 110:11572.0 111:221.0 112:1398.0 113:312.0 114:11585.0 115:1280.0 116:193.0 |  |  |  | 28206 | 28482 | 33287 | 31131 | 36255 | 28241 | 27394 | 35574 | 24281 | 30382 | 33051 | 36617 | 28880 | 27077 | 32670 | 29030 | 30561 | 29515 | 26583 | 27567 | 27406 | 30615 | 24146 | 33807 | 32108 | 24564 | 30281 | 32624 | 27256 | 29708 | 25169 | 28345 | 27618 | 37567 | 32126 | 31484 | 26811 | 32857 | 28143 | 31977 | 32045 | 41025 | 19689 | 30050.11627906977 | 612.463712134357 | 32162 | 32987 | 30669 | 33931 | 32871 | 28269 | 26831 | 35592 | 34655 | 37450 | 28119 | 28234 | 31814.16666666667 | 978.4914009418617 | -1764.050387596901 | 0.1711191491783237 | 94.45514193070099 |  |  |  | 224788
224551 | 501237 | 228 | 224551 | 85:291.0 86:256.0 88:22.0 89:452.0 91:277.0 93:47.0 94:61.0 96:7.0 97:265.0 98:267.0 100:230.0 104:57.0 105:21.0 106:116.0 107:293.0 108:386.0 109:238.0 110:1300.0 113:221.0 114:211.0 116:215.0 117:410.0 118:258.0 120:2.0 122:13.0 123:77.0 128:353.0 129:7 |  |  |  | 1611 | 2316 | 1714 | 888 | 721 | 3292 | 613 | 824 | 843 | 912 | 2420 | 1145 | 2820 | 1334 | 1390 | 616 | 660 | 1375 | 1020 | 748 | 1210 | 787 | 13087 | 9224 | 820 | 669 | 51477 | 1148 | 486 | 420 | 5291 | 18305 | 1289 | 444 | 448 | 13115 | 8252 | 2444 | 837 | 995 | 924 | 25784 | 2627 | 4356.860465116279 | 1377.956319146811 | 1946 | 10890 | 2986 | 644 | 1510 | 3125 | 1134 | 2987 | 22738 | 783 | 2367 | 4344 | 4621.166666666667 | 1825.335958422753 | -264.3062015503883 | 0.9248686872235021 | 94.28053085691805 |  |  |  | 224551
229268 | 407022 | 263 | 229268 | 85:1296.0 86:1190.0 87:1319.0 88:1347.0 89:535.0 90:101.0 94:1505.0 95:768.0 96:1076.0 98:1853.0 99:3947.0 100:1153.0 101:1082.0 102:1699.0 103:3331.0 104:240.0 105:355.0 107:891.0 108:1306.0 109:81.0 110:1027.0 111:4201.0 112:874.0 113:1039.0 114:689.0 1 |  |  |  | 12763 | 20395 | 10617 | 15486 | 5537 | 11418 | 8255 | 30456 | 7475 | 8862 | 35897 | 5468 | 17920 | 7102 | 4333 | 14758 | 3802 | 22535 | 10862 | 5111 | 9147 | 6872 | 42189 | 29972 | 5088 | 10381 | 22202 | 6373 | 3822 | 3527 | 8557 | 14054 | 19336 | 4714 | 5848 | 9141 | 23123 | 5123 | 17366 | 22413 | 7686 | 304278 | 7883 | 19724.3488372093 | 6918.507332330611 | 21920 | 28559 | 20177 | 10562 | 4140 | 8567 | 11749 | 19188 | 58384 | 16289 | 30069 | 22413 | 21001.41666666667 | 4081.849858155026 | -1277.067829457366 | 0.9241621413849356 | 93.91913483872581 |  |  |  | 229268
228401 | 594044 | 170 | 228401 | 85:412.0 86:2491.0 88:912.0 94:1112.0 95:169.0 96:1493.0 98:1068.0 99:1017.0 100:3446.0 101:3233.0 102:2205.0 103:5988.0 104:395.0 106:62.0 108:1609.0 109:604.0 111:400.0 113:399.0 114:167.0 115:184.0 116:3953.0 117:9072.0 118:1539.0 119:197.0 120:249.0 1 |  |  |  | 23932 | 15181 | 19853 | 26110 | 17750 | 23528 | 23461 | 17804 | 17134 | 21385 | 20486 | 13027 | 19466 | 11436 | 14730 | 23865 | 8924 | 17417 | 16176 | 17615 | 18027 | 20584 | 13591 | 17297 | 19945 | 17923 | 16789 | 18501 | 16620 | 10951 | 13773 | 17643 | 14753 | 10436 | 13455 | 19040 | 16297 | 13313 | 15217 | 17449 | 15833 | 18065 | 13864 | 17177.81395348837 | 580.8473382956224 | 14553 | 19783 | 19362 | 21169 | 5037 | 22782 | 20507 | 23641 | 19577 | 17933 | 17529 | 17937 | 18317.5 | 1396.637951718991 | -1139.68604651163 | 0.3919198557564494 | 93.7781572457397 |  |  |  | 228401
pseudo uridine | 813829 | 217 | 213381 | 85:213.0 86:79.0 87:140.0 88:32.0 89:17.0 91:53.0 92:21.0 93:66.0 94:15.0 97:3.0 98:19.0 99:228.0 100:795.0 101:273.0 102:27.0 103:733.0 104:19.0 105:21.0 106:69.0 107:11.0 108:12.0 110:4.0 111:79.0 113:175.0 115:57.0 116:38.0 117:251.0 119:107.0 120:3.0 | 15047 | C02067 |  | 3489 | 4688 | 6075 | 4891 | 11120 | 6754 | 7068 | 8145 | 5239 | 6988 | 6187 | 5658 | 5269 | 5406 | 7680 | 8054 | 9324 | 5813 | 12385 | 8604 | 11290 | 6518 | 4175 | 5581 | 6538 | 10079 | 6328 | 7250 | 9682 | 6326 | 8044 | 6612 | 6731 | 8224 | 7731 | 12694 | 9163 | 7115 | 4855 | 11080 | 11252 | 12423 | 3236 | 7482.883720930233 | 373.6939429834036 | 7966 | 6137 | 8250 | 9811 | 12193 | 8346 | 3916 | 9032 | 4843 | 8862 | 7570 | 8895 | 7985.083333333333 | 639.318641309842 | -502.1996124031002 | 0.5249228834752637 | 93.71077806656453 |  |  |  | pseudo uridine
glycerol | 343749 | 205 | 207507 | 85:458.0 87:445.0 88:273.0 89:1241.0 90:117.0 91:85.0 93:120.0 94:8.0 95:48.0 98:24.0 99:99.0 101:1759.0 102:189.0 103:6906.0 104:735.0 105:547.0 106:86.0 107:18.0 108:34.0 109:13.0 110:10.0 111:37.0 112:45.0 113:209.0 115:479.0 116:604.0 117:7660.0 118:9 | 753 | C00116 |  | 115056 | 94926 | 145275 | 122214 | 179571 | 162882 | 158020 | 107664 | 163637 | 168923 | 123173 | 104810 | 117612 | 129287 | 184004 | 155125 | 86047 | 85855 | 325359 | 169343 | 229476 | 125543 | 148721 | 138344 | 143484 | 146912 | 111365 | 179365 | 120433 | 128722 | 222916 | 151191 | 120653 | 139072 | 92812 | 143178 | 113785 | 178065 | 77841 | 130294 | 143904 | 98957 | 137003 | 142344.6279069767 | 6723.01638758642 | 96314 | 115342 | 250753 | 136396 | 259490 | 162380 | 96367 | 179769 | 118678 | 184147 | 98515 | 128207 | 152196.5 | 16408.24948537297 | -9851.872093023267 | 0.5237726484722949 | 93.52687342151543 |  |  |  | glycerol
1-monoolein | 952993 | 129 | 213963 | 85:48.0 87:122.0 89:15.0 91:85.0 93:126.0 94:22.0 95:270.0 96:54.0 97:76.0 98:19.0 99:8.0 101:244.0 102:2.0 103:774.0 104:24.0 105:55.0 107:41.0 109:91.0 110:5.0 111:37.0 115:13.0 116:67.0 117:223.0 119:4.0 121:31.0 123:43.0 129:1231.0 130:117.0 131:212.0 | 5283468 | [NAME] |  | 28051 | 2300 | 2303 | 6428 | 3261 | 8978 | 4270 | 5257 | 5750 | 5399 | 3008 | 7814 | 3880 | 15190 | 10195 | 10485 | 5215 | 3661 | 46898 | 5710 | 13628 | 2361 | 3821 | 13426 | 20594 | 3936 | 4001 | 5840 | 7597 | 6766 | 8806 | 3551 | 13060 | 24357 | 10738 | 6767 | 2461 | 7380 | 2216 | 3722 | 4283 | 5351 | 16946 | 8736.302325581395 | 1281.626062401201 | 5563 | 3041 | 48709 | 7595 | 7469 | 8602 | 3620 | 5777 | 6355 | 5142 | 4945 | 5571 | 9365.75 | 3605.983903317491 | -629.447674418605 | 0.838272829677466 | 93.27926034307337 |  |  |  | 1-monoolein
229108 | 281476 | 234 | 229108 | 89:832.0 90:1338.0 91:14297.0 92:1241.0 93:392.0 95:547.0 96:222.0 97:3406.0 102:26477.0 103:3984.0 104:1802.0 105:1192.0 106:633.0 107:5043.0 108:602.0 109:326.0 111:67.0 112:311.0 115:799.0 116:330.0 117:2961.0 118:1195.0 119:665.0 122:248.0 123:180.0 1 |  |  |  | 5463 | 5297 | 6403 | 6865 | 9155 | 6875 | 6004 | 5107 | 4264 | 5944 | 5865 | 7592 | 5428 | 5101 | 6686 | 5839 | 6269 | 6181 | 5034 | 6363 | 5957 | 6353 | 5190 | 5657 | 6971 | 5661 | 5524 | 7001 | 5842 | 5823 | 5267 | 5868 | 4650 | 7912 | 5890 | 5578 | 5772 | 7510 | 5207 | 5240 | 6351 | 5747 | 3692 | 5962.744186046511 | 148.8990608955408 | 5536 | 4897 | 6418 | 7795 | 7632 | 5915 | 5705 | 6837 | 6233 | 8877 | 5233 | 5772 | 6404.166666666667 | 340.43621378544 | -441.4224806201555 | 0.1914547255152491 | 93.10726120046601 |  |  |  | 229108
1-monostearin | 959625 | 399 | 202835 | 85:6330.0 86:711.0 87:915.0 88:990.0 89:2210.0 90:285.0 91:3.0 93:993.0 94:407.0 95:6596.0 96:705.0 97:6331.0 98:2075.0 99:2365.0 100:413.0 101:9553.0 102:1183.0 103:10389.0 104:1177.0 105:1061.0 106:102.0 107:681.0 108:86.0 109:3734.0 110:504.0 111:2825. | 24699 | D01947 |  | 2529 | 1957 | 2836 | 3100 | 2803 | 2338 | 2110 | 2162 | 1959 | 3614 | 1578 | 2059 | 1448 | 1666 | 3349 | 1945 | 2253 | 1804 | 3211 | 1981 | 1443 | 1418 | 2288 | 2364 | 2933 | 3918 | 1588 | 2511 | 2299 | 1544 | 1815 | 1587 | 2755 | 3223 | 1859 | 2580 | 3843 | 2611 | 1512 | 2739 | 2874 | 1883 | 2593 | 2346.093023255814 | 102.2617091501482 | 1948 | 1840 | 3757 | 2618 | 2546 | 2226 | 1238 | 1980 | 2136 | 2334 | 5138 | 2534 | 2524.583333333333 | 293.715912485985 | -178.4903100775196 | 0.4726301453611754 | 92.92991014711922 |  |  |  | 1-monostearin
241369 | 194932 | 172 | 241369 | 85:53.0 86:9844.0 87:2769.0 88:4750.0 92:415.0 93:364.0 96:360.0 97:82.0 98:3399.0 99:1560.0 100:22462.0 101:3310.0 102:2280.0 104:23.0 105:4768.0 109:151.0 110:1920.0 111:235.0 112:1568.0 114:10584.0 115:1997.0 116:23782.0 117:2553.0 118:2080.0 119:13.0 |  |  |  | 314390 | 268423 | 204111 | 403827 | 389137 | 368603 | 372792 | 392726 | 237429 | 395138 | 231375 | 477009 | 383439 | 371212 | 426645 | 299674 | 433994 | 307033 | 328154 | 403255 | 335651 | 438748 | 289515 | 357042 | 364591 | 371995 | 338757 | 290468 | 304840 | 441730 | 252143 | 307166 | 267008 | 490801 | 343251 | 340558 | 313231 | 475340 | 386232 | 326826 | 367377 | 270671 | 216698 | 346488.488372093 | 10810.05985696444 | 346160 | 397944 | 249631 | 507437 | 548197 | 370787 | 201616 | 443038 | 419063 | 470042 | 249060 | 271331 | 372858.8333333333 | 32198.35643058212 | -26370.34496124031 | 0.3233179399550219 | 92.9275257540525 |  |  |  | 241369
224037 | 606591 | 170 | 224037 | 85:84.0 86:18.0 93:8.0 94:186.0 95:3.0 96:379.0 98:1.0 100:498.0 101:113.0 103:9.0 104:170.0 105:4.0 107:46.0 108:237.0 109:85.0 110:811.0 114:138.0 116:2.0 117:37.0 118:2.0 121:4.0 122:128.0 123:33.0 124:62.0 125:92.0 126:62.0 128:261.0 129:73.0 130:207. |  |  |  | 4600 | 4397 | 6581 | 6305 | 7428 | 4953 | 4282 | 5823 | 3685 | 5564 | 4244 | 8772 | 5575 | 5246 | 6903 | 4697 | 6790 | 4230 | 4200 | 4737 | 4844 | 5718 | 2574 | 6422 | 5732 | 4849 | 4300 | 6639 | 5120 | 6229 | 4445 | 5771 | 2519 | 7748 | 5750 | 6601 | 4467 | 7303 | 4605 | 4277 | 5259 | 3876 | 3599 | 5294.395348837209 | 203.1714334835474 | 5319 | 5051 | 6312 | 7158 | 6195 | 4680 | 5854 | 7001 | 4147 | 8522 | 3673 | 4491 | 5700.25 | 408.3810817784603 | -405.854651162791 | 0.3612393825161931 | 92.88005524033524 |  |  |  | 224037
226907 | 716792 | 387 | 226907 | 85:19.0 87:164.0 88:14.0 90:133.0 93:254.0 94:85.0 95:1499.0 96:1432.0 97:265.0 98:730.0 99:242.0 100:1238.0 101:1317.0 102:447.0 103:287.0 104:75.0 106:1.0 108:68.0 110:303.0 111:226.0 112:208.0 113:415.0 114:480.0 115:259.0 116:407.0 119:34.0 122:38.0 1 |  |  |  | 1828 | 2061 | 1315 | 1604 | 702 | 1609 | 912 | 1920 | 1995 | 1090 | 2070 | 696 | 2015 | 1101 | 453 | 1260 | 327 | 2423 | 1793 | 560 | 1436 | 992 | 1965 | 1825 | 589 | 1204 | 2341 | 798 | 606 | 435 | 990 | 1668 | 2064 | 290 | 849 | 932 | 1967 | 486 | 1672 | 2306 | 935 | 3888 | 851 | 1367.976744186047 | 112.5294965065705 | 1412 | 1853 | 1769 | 1102 | 302 | 1280 | 870 | 1081 | 2353 | 1553 | 2052 | 2048 | 1472.916666666667 | 168.4557067191926 | -104.9399224806202 | 0.6519790773838311 | 92.8753659419098 |  |  |  | 226907
fumaric acid | 390708 | 245 | 218753 | 85:6057.0 86:1918.0 87:2399.0 88:1256.0 89:1938.0 90:528.0 91:781.0 92:256.0 93:878.0 94:229.0 95:362.0 96:415.0 97:1880.0 98:3061.0 99:3463.0 100:2189.0 101:1695.0 102:1076.0 103:4290.0 104:1244.0 105:1883.0 106:512.0 107:2116.0 108:569.0 109:333.0 110:1 | 444972 | C00122 |  | 2436 | 2025 | 2687 | 2901 | 3549 | 3165 | 4142 | 3189 | 2759 | 3961 | 5448 | 3218 | 3026 | 1986 | 3745 | 2643 | 2517 | 2807 | 2756 | 3214 | 2982 | 2977 | 2533 | 9693 | 3536 | 2778 | 2594 | 3268 | 2086 | 2732 | 2208 | 2965 | 7070 | 3391 | 2245 | 3309 | 2563 | 3024 | 2009 | 2302 | 4231 | 5551 | 1604 | 3251.744186046511 | 217.6703291586593 | 2885 | 3404 | 3056 | 3875 | 3311 | 2846 | 3426 | 3695 | 3765 | 4822 | 3754 | 3180 | 3501.583333333333 | 156.1112393956838 | -249.839147286822 | 0.5568673863071655 | 92.86496640224216 |  |  |  | fumaric acid
238566 | 611453 | 170 | 238566 | 85:217.0 86:403.0 89:345.0 90:218.0 92:134.0 93:45.0 94:410.0 95:249.0 96:1189.0 98:5389.0 99:384.0 100:1963.0 102:67.0 103:246.0 108:321.0 110:860.0 112:424.0 113:107.0 114:289.0 115:456.0 117:647.0 121:66.0 122:176.0 124:298.0 125:42.0 126:430.0 128:756 |  |  |  | 16900 | 10207 | 18068 | 19045 | 18653 | 17572 | 17331 | 14186 | 11614 | 17865 | 13000 | 17041 | 14226 | 10674 | 14285 | 15810 | 10984 | 12727 | 11685 | 15003 | 14861 | 17827 | 9380 | 14488 | 17073 | 15797 | 12212 | 17446 | 14628 | 11602 | 13300 | 13912 | 9122 | 13229 | 16357 | 15628 | 12278 | 15004 | 11129 | 13641 | 13562 | 12202 | 11243 | 14251.09302325581 | 405.7860831878276 | 11621 | 14753 | 16112 | 18905 | 10036 | 17440 | 16220 | 18028 | 13995 | 21255 | 12215 | 13744 | 15360.33333333333 | 941.9798165287161 | -1109.240310077519 | 0.2297885460817347 | 92.77854011364217 |  |  |  | 238566
239966 | 806614 | 290 | 239966 | 90:30.0 91:32.0 94:18.0 100:206.0 103:3128.0 104:321.0 105:40.0 106:35.0 107:231.0 108:64.0 110:27.0 116:42.0 128:19.0 132:33.0 134:24.0 138:38.0 139:3.0 140:53.0 143:28.0 144:430.0 145:1.0 148:389.0 149:184.0 152:6.0 153:1.0 154:12.0 158:82.0 160:50.0 16 |  |  |  | 2045 | 988 | 839 | 2077 | 1329 | 1706 | 1107 | 1108 | 1949 | 2069 | 513 | 1979 | 1335 | 1538 | 2355 | 2717 | 1767 | 1079 | 2147 | 1862 | 1048 | 2674 | 577 | 459 | 1580 | 2098 | 768 | 1673 | 2206 | 2150 | 2247 | 960 | 1023 | 2996 | 2409 | 1750 | 923 | 2737 | 891 | 1469 | 2288 | 631 | 1955 | 1628.395348837209 | 102.9970708844703 | 2416 | 1119 | 1172 | 3382 | 2617 | 3441 | 985 | 817 | 526 | 2487 | 555 | 1576 | 1757.75 | 306.5575511987426 | -129.3546511627908 | 0.6097945232542521 | 92.64089596570668 |  |  |  | 239966
indole-3-lactate | 764543 | 202 | 223518 | 98:163.0 100:2.0 110:5.0 114:3.0 116:31.0 117:51.0 129:157.0 144:38.0 169:17.0 170:17.0 171:45.0 197:49.0 202:1980.0 203:219.0 204:144.0 217:86.0 228:9.0 231:14.0 235:14.0 241:11.0 253:13.0 267:1.0 274:10.0 276:3.0 282:17.0 286:2.0 307:11.0 310:1.0 318:12 | 92904 | C02043 |  | 1335 | 2198 | 3032 | 1432 | 1885 | 4398 | 4645 | 2122 | 2885 | 2337 | 2698 | 2000 | 1737 | 1244 | 1628 | 1905 | 3545 | 2517 | 2045 | 1927 | 1698 | 2215 | 1593 | 2402 | 3127 | 2139 | 2448 | 3241 | 2431 | 1797 | 2134 | 3321 | 2327 | 7440 | 2287 | 2038 | 1095 | 7025 | 1568 | 3624 | 3859 | 2536 | 981 | 2577.697674418604 | 202.5190488692606 | 3430 | 2143 | 3271 | 2162 | 2737 | 3281 | 1597 | 3089 | 1981 | 4071 | 2221 | 3459 | 2786.833333333333 | 218.0689643950355 | -209.135658914729 | 0.6050484379968095 | 92.49558068603328 |  |  |  | indole-3-lactate
235678 | 530661 | 329 | 235678 | 85:1326.0 86:702.0 87:399.0 88:51.0 89:894.0 91:68.0 92:3.0 95:414.0 97:729.0 99:2060.0 100:1458.0 102:366.0 103:602.0 104:28.0 107:445.0 108:376.0 109:1010.0 110:531.0 111:560.0 112:123.0 113:549.0 115:512.0 116:368.0 117:604.0 118:404.0 120:2.0 124:99.0 |  |  |  | 2088 | 2403 | 897 | 1742 | 454 | 1395 | 800 | 1595 | 3129 | 843 | 1343 | 694 | 1069 | 833 | 476 | 1794 | 338 | 2110 | 2891 | 753 | 1216 | 804 | 2241 | 1393 | 712 | 1169 | 2405 | 1003 | 729 | 367 | 1458 | 257 | 2025 | 502 | 623 | 389 | 1535 | 594 | 1313 | 2487 | 962 | 2143 | 995 | 1278.348837209302 | 113.4056649046712 | 3518 | 1632 | 1053 | 1083 | 335 | 2328 | 541 | 796 | 1541 | 1028 | 60 | 2744 | 1388.25 | 296.6644907564058 | -109.9011627906978 | 0.6796976700606903 | 92.08347467742138 |  |  |  | 235678
281120 | 231838 | 97 | 281120 | 85:19847.0 86:1102.0 91:3983.0 92:975.0 93:5049.0 94:764.0 95:14127.0 96:3676.0 97:180656.0 98:15813.0 99:1784.0 106:5.0 107:3119.0 108:1494.0 109:3145.0 110:4563.0 111:23718.0 112:64624.0 113:11463.0 116:6914.0 120:127.0 121:54.0 122:1014.0 123:9293.0 12 |  |  |  | 143799 | 141840 | 190163 | 193584 | 205437 | 164285 | 211746 | 223141 | 167049 | 194580 | 173287 | 215594 | 12154 | 167527 | 200547 | 166220 | 190904 | 152119 | 170314 | 195309 | 157512 | 216602 | 157601 | 185348 | 182712 | 194992 | 15529 | 182695 | 144741 | 133323 | 130738 | 152739 | 162202 | 229790 | 219205 | 159070 | 166082 | 208514 | 158654 | 178062 | 199178 | 150384 | 98782 | 168931.488372093 | 6809.466684598086 | 176922 | 228468 | 193214 | 18794 | 233227 | 182700 | 174212 | 206552 | 238816 | 220587 | 139490 | 194263 | 183937.0833333333 | 17158.93413129429 | -15005.59496124031 | 0.3436114516731795 | 91.84199581220554 |  |  |  | 281120
228809 | 428316 | 124 | 228809 | 86:61.0 87:98.0 88:246.0 90:218.0 93:380.0 94:1046.0 95:563.0 96:6718.0 97:1086.0 98:2499.0 100:268.0 107:639.0 108:571.0 109:229.0 111:464.0 112:757.0 113:134.0 118:41.0 120:905.0 122:129.0 124:20325.0 125:1383.0 127:719.0 130:510.0 132:60.0 134:1051.0 1 |  |  |  | 26447 | 25819 | 26364 | 29451 | 37930 | 34134 | 29019 | 24013 | 27167 | 25622 | 30747 | 29394 | 16565 | 16949 | 30883 | 25364 | 28404 | 28969 | 28380 | 30042 | 24682 | 28510 | 26560 | 30593 | 31247 | 26759 | 26023 | 33769 | 29915 | 25206 | 26244 | 14363 | 26091 | 32578 | 31413 | 17218 | 28746 | 35231 | 18522 | 30101 | 27867 | 28484 | 17367 | 27189.58139534884 | 783.6376362111208 | 28162 | 27695 | 28614 | 32461 | 35142 | 31991 | 23572 | 23853 | 33875 | 31874 | 25436 | 32600 | 29606.25 | 1136.298323804897 | -2416.668604651164 | 0.1378647875832544 | 91.83730258087004 |  |  |  | 228809
tocopherol beta | 1022809 | 222 | 270413 | 85:114.0 91:125.0 92:107.0 93:440.0 95:376.0 96:213.0 97:90.0 101:14.0 102:99.0 105:159.0 107:29.0 109:43.0 111:72.0 112:1.0 116:66.0 119:48.0 123:11.0 129:558.0 131:91.0 135:203.0 136:94.0 137:17.0 145:58.0 151:81.0 158:10.0 163:12.0 164:82.0 165:110.0 1 | 8989 | C14152 |  | 664 | 912 | 1073 | 780 | 1285 | 1236 | 829 | 1338 | 533 | 546 | 525 | 1335 | 879 | 1095 | 1569 | 634 | 975 | 1144 | 1417 | 1056 | 971 | 1362 | 1044 | 733 | 847 | 862 | 1111 | 1332 | 931 | 1003 | 1066 | 605 | 833 | 1985 | 925 | 1215 | 1081 | 665 | 523 | 880 | 436 | 1291 | 781 | 983.8837209302326 | 48.6933725323478 | 1414 | 975 | 945 | 1510 | 417 | 892 | 1051 | 1469 | 1380 | 914 | 875 | 1029 | 1072.583333333333 | 91.87866326098927 | -88.69961240310067 | 0.3983593415805611 | 91.73028242687276 |  |  |  | tocopherol beta
pelargonic acid | 399163 | 117 | 201810 | 85:67.0 86:17.0 87:23.0 88:4.0 89:34.0 90:10.0 91:3.0 93:8.0 94:2.0 95:1.0 96:2.0 97:57.0 98:40.0 99:72.0 100:25.0 101:41.0 105:62.0 106:3.0 107:3.0 108:3.0 109:2.0 111:20.0 112:3.0 114:3.0 115:3.0 116:88.0 117:1770.0 118:174.0 119:61.0 120:4.0 121:7.0 12 | 8158 | C01601 |  | 56480 | 53293 | 79222 | 71867 | 46369 | 70875 | 65445 | 65234 | 38272 | 75627 | 36781 | 85077 | 60635 | 90007 | 70247 | 56486 | 58199 | 55942 | 36065 | 52069 | 62462 | 62857 | 80942 | 69869 | 79213 | 57891 | 119153 | 59694 | 52466 | 44199 | 56411 | 91374 | 72998 | 40578 | 66055 | 108853 | 68422 | 66108 | 67960 | 39819 | 64764 | 98802 | 57849 | 65417 | 2787.488340435169 | 56454 | 78489 | 54892 | 76821 | 75692 | 64458 | 47036 | 94636 | 109518 | 73341 | 60928 | 63979 | 71353.66666666667 | 5073.045698253233 | -5936.666666666672 | 0.3205556270347427 | 91.67994169886154 |  |  |  | pelargonic acid
citrulline | 620728 | 157 | 228157 | 85:2825.0 86:7247.0 87:953.0 88:941.0 89:1439.0 90:1221.0 91:235.0 94:906.0 95:815.0 98:4279.0 99:5206.0 100:8317.0 101:3186.0 102:3144.0 103:15692.0 104:1685.0 105:683.0 107:928.0 108:123.0 109:564.0 111:391.0 112:234.0 113:29.0 114:1627.0 115:2867.0 116 | 9750 | C00327 |  | 5738 | 6923 | 11594 | 5354 | 9637 | 6317 | 6302 | 8665 | 8433 | 9775 | 8538 | 7190 | 13641 | 10452 | 6688 | 9138 | 5968 | 6282 | 6053 | 7105 | 10507 | 6525 | 4015 | 7719 | 10392 | 8260 | 9462 | 11386 | 9564 | 5820 | 7861 | 17284 | 6030 | 6820 | 8381 | 18468 | 6014 | 4193 | 7438 | 6556 | 8361 | 11791 | 6917 | 8361.790697674418 | 455.6416897687305 | 6873 | 7124 | 13172 | 7391 | 6272 | 8668 | 5444 | 17499 | 5752 | 12265 | 10525 | 8465 | 9120.833333333334 | 1044.881774038179 | -759.042635658916 | 0.4608126015035883 | 91.67792450625217 |  |  |  | citrulline
281186 | 760555 | 315 | 281186 | 87:382.0 90:5.0 94:388.0 95:2.0 96:314.0 97:764.0 98:354.0 99:212.0 100:20.0 101:268.0 104:21.0 105:291.0 111:225.0 112:53.0 114:273.0 115:195.0 116:382.0 117:558.0 118:123.0 121:303.0 122:481.0 123:28.0 124:112.0 125:63.0 126:289.0 127:45.0 128:127.0 129 |  |  |  | 823 | 359 | 1197 | 1325 | 1107 | 1376 | 1627 | 938 | 296 | 2127 | 595 | 1522 | 1602 | 691 | 1424 | 664 | 1189 | 824 | 637 | 1458 | 719 | 954 | 435 | 576 | 1714 | 1013 | 362 | 1669 | 418 | 1463 | 388 | 1473 | 1600 | 1312 | 609 | 1847 | 567 | 1285 | 634 | 361 | 2265 | 769 | 325 | 1035.790697674419 | 80.78467310568509 | 304 | 918 | 913 | 1125 | 980 | 799 | 2268 | 1058 | 676 | 3129 | 669 | 728 | 1130.583333333333 | 226.6832811981234 | -94.7926356589146 | 0.6257877471587362 | 91.61559941101956 |  |  |  | 281186
234579 | 378003 | 315 | 234579 | 89:1510.0 90:1305.0 91:226.0 93:625.0 94:133.0 103:2278.0 104:191.0 106:144.0 107:387.0 109:231.0 110:2231.0 112:477.0 113:84.0 114:4886.0 117:585.0 119:992.0 123:647.0 126:1047.0 128:182.0 132:544.0 133:1668.0 134:726.0 137:311.0 139:149.0 140:7149.0 141 |  |  |  | 4006 | 4958 | 2998 | 2932 | 2437 | 2133 | 4396 | 5262 | 3985 | 3310 | 5888 | 3262 | 4900 | 3211 | 3082 | 3608 | 1716 | 4038 | 4531 | 3376 | 2941 | 3595 | 6637 | 2950 | 3032 | 2823 | 5589 | 2476 | 1513 | 2561 | 3906 | 3747 | 7371 | 3086 | 3320 | 3763 | 4144 | 2444 | 4038 | 4304 | 4873 | 7022 | 1721 | 3764.767441860465 | 205.7414806300313 | 5810 | 4183 | 6763 | 3102 | 1807 | 3493 | 2187 | 4177 | 5259 | 2875 | 5812 | 3896 | 4113.666666666667 | 444.8747071373073 | -348.8992248062018 | 0.4457848452955778 | 91.51853436173239 |  |  |  | 234579
228897 | 379191 | 218 | 228897 | 85:2175.0 86:15465.0 88:775.0 89:1916.0 92:35.0 96:45.0 99:374.0 100:10426.0 101:957.0 102:2358.0 103:1587.0 104:621.0 107:2518.0 108:347.0 110:2033.0 112:51.0 114:1384.0 115:766.0 116:1066.0 117:2416.0 118:1178.0 119:67.0 120:43.0 121:26.0 127:489.0 128: |  |  |  | 16682 | 15636 | 18335 | 21255 | 22360 | 19145 | 19166 | 18608 | 15092 | 17819 | 19185 | 21817 | 17388 | 16454 | 18908 | 17088 | 17922 | 16448 | 15930 | 18968 | 16204 | 18833 | 15752 | 18309 | 18303 | 16020 | 17013 | 20300 | 16818 | 16809 | 14919 | 16920 | 14491 | 21613 | 19330 | 18746 | 17034 | 21061 | 15745 | 17182 | 19871 | 18195 | 10994 | 17782.97674418605 | 335.9004699003264 | 16869 | 18762 | 19838 | 21420 | 21572 | 18678 | 16349 | 21375 | 20058 | 25597 | 15614 | 17254 | 19448.83333333333 | 813.147698326037 | -1665.856589147286 | 0.03392464521959554 | 91.43467085867728 |  |  | *** | 228897
229073 | 254699 | 228 | 229073 | 85:656.0 87:1482.0 88:7764.0 89:812.0 90:1847.0 92:1151.0 94:2619.0 96:4023.0 97:56061.0 98:15589.0 99:2716.0 100:3097.0 101:3087.0 102:1011.0 103:4714.0 104:91.0 105:2730.0 106:3001.0 107:23878.0 108:1228.0 109:868.0 110:28126.0 112:727.0 113:815.0 114:2 |  |  |  | 4439 | 6259 | 4491 | 5489 | 4626 | 4084 | 4363 | 6725 | 5666 | 4639 | 8987 | 4629 | 6013 | 4688 | 4084 | 4593 | 4113 | 5984 | 5482 | 3743 | 4213 | 4223 | 7286 | 7331 | 3731 | 3803 | 6692 | 4368 | 3693 | 3611 | 4011 | 5089 | 25921 | 4734 | 4659 | 4719 | 5229 | 4371 | 5284 | 5749 | 4745 | 9219 | 2453 | 5540.255813953489 | 527.5985882405539 | 6671 | 7193 | 6032 | 5627 | 4570 | 4364 | 4460 | 6575 | 9301 | 5586 | 6524 | 6049 | 6079.333333333333 | 396.0669581693675 | -539.0775193798445 | 0.6014837364881598 | 91.13262113093796 |  |  |  | 229073
226865 | 552707 | 411 | 226865 | 86:232.0 88:67.0 89:266.0 90:46.0 92:149.0 94:26.0 95:121.0 96:93.0 98:4013.0 103:233.0 104:161.0 108:57.0 109:348.0 110:3272.0 111:113.0 114:294.0 115:141.0 117:527.0 118:96.0 120:52.0 122:288.0 124:40.0 126:54.0 129:29.0 130:1386.0 133:853.0 134:706.0 1 |  |  |  | 349 | 608 | 485 | 394 | 357 | 462 | 345 | 656 | 552 | 410 | 776 | 404 | 429 | 467 | 346 | 354 | 358 | 649 | 605 | 342 | 436 | 334 | 879 | 694 | 365 | 255 | 683 | 503 | 356 | 369 | 314 | 426 | 594 | 434 | 321 | 428 | 579 | 498 | 489 | 670 | 331 | 944 | 254 | 476.8372093023256 | 24.60500651844031 | 510 | 620 | 442 | 453 | 451 | 420 | 283 | 436 | 789 | 657 | 661 | 562 | 523.6666666666666 | 40.00688072132722 | -46.82945736434107 | 0.3647362262341723 | 91.05739197370953 |  |  |  | 226865
224521 | 352767 | 218 | 224521 | 85:2272.0 86:51809.0 87:6247.0 88:2574.0 89:106.0 90:711.0 91:750.0 92:405.0 95:417.0 98:2034.0 100:28378.0 101:3760.0 102:3364.0 103:5370.0 104:75.0 105:1074.0 106:112.0 107:205.0 108:55.0 109:15.0 111:552.0 112:58.0 113:410.0 114:1123.0 115:2748.0 116:2 |  |  |  | 72454 | 64972 | 78339 | 86573 | 93249 | 78644 | 81366 | 76024 | 62843 | 79562 | 79031 | 91967 | 73516 | 71427 | 80714 | 70452 | 76185 | 70241 | 66944 | 78738 | 67956 | 77582 | 64725 | 75612 | 79296 | 70988 | 68324 | 85895 | 71557 | 69960 | 64541 | 69358 | 65268 | 91001 | 83411 | 78953 | 70132 | 90639 | 63217 | 72784 | 84861 | 77244 | 47306 | 74973.27906976744 | 1400.214002915149 | 72472 | 75928 | 83186 | 92560 | 92386 | 79598 | 72220 | 93188 | 82575 | 105973 | 64312 | 74258 | 82388 | 3394.584861037927 | -7414.720930232565 | 0.02399654986058409 | 91.00024162471165 |  |  | *** | 224521
pyrazine 2,5-dihydroxy | 396061 | 241 | 203238 | 85:1007.0 86:1103.0 87:107.0 88:47.0 89:23.0 90:12.0 91:198.0 92:179.0 93:110.0 95:19.0 96:54.0 97:524.0 98:714.0 99:495.0 100:918.0 101:208.0 102:6.0 103:528.0 104:8.0 105:43.0 106:5.0 107:79.0 108:58.0 109:49.0 110:114.0 111:358.0 112:140.0 113:1794.0 1 | 15532987 |  |  | 741 | 719 | 624 | 707 | 753 | 633 | 558 | 808 | 922 | 787 | 845 | 600 | 1122 | 803 | 754 | 888 | 466 | 728 | 832 | 659 | 627 | 918 | 591 | 781 | 705 | 684 | 863 | 786 | 628 | 689 | 639 | 885 | 1306 | 826 | 633 | 1120 | 836 | 625 | 679 | 907 | 710 | 1170 | 409 | 766.6511627906976 | 27.15090277109838 | 861 | 711 | 898 | 774 | 902 | 787 | 537 | 1327 | 884 | 848 | 771 | 819 | 843.25 | 52.76507755221165 | -76.59883720930236 | 0.1956873510656283 | 90.91623632264425 |  |  |  | pyrazine 2,5-dihydroxy
281178 | 258298 | 144 | 281178 | 87:159.0 95:2091.0 101:472.0 107:1282.0 109:2533.0 112:61.0 126:14.0 130:149.0 131:22061.0 132:2780.0 137:4.0 138:196.0 139:350.0 143:925.0 144:13349.0 145:1614.0 153:307.0 166:159.0 173:501.0 176:30.0 183:486.0 186:709.0 199:40.0 205:773.0 206:4.0 214:38 |  |  |  | 13005 | 11673 | 16907 | 16675 | 17912 | 13814 | 16374 | 17174 | 12450 | 16980 | 14242 | 20177 | 15217 | 13806 | 17297 | 13776 | 16423 | 12082 | 13039 | 16937 | 13899 | 17245 | 12462 | 14757 | 15232 | 13512 | 13803 | 16395 | 12715 | 15096 | 11678 | 14347 | 11101 | 19707 | 16660 | 15595 | 13775 | 19491 | 12059 | 14290 | 16238 | 11938 | 9287 | 14819.58139534884 | 372.5826124993366 | 14366 | 17876 | 14600 | 20908 | 19451 | 15510 | 13504 | 18114 | 17281 | 18399 | 11153 | 14587 | 16312.41666666667 | 810.9160500802636 | -1492.835271317828 | 0.07565682813836923 | 90.84847265844836 |  |  |  | 281178
224547 | 538202 | 275 | 224547 | 85:40.0 86:273.0 87:698.0 89:297.0 90:338.0 91:551.0 92:44.0 93:216.0 94:144.0 95:313.0 98:140.0 99:15.0 104:115.0 107:1783.0 108:752.0 109:171.0 110:1994.0 111:280.0 114:51.0 115:15.0 117:787.0 119:3.0 121:265.0 122:420.0 123:8.0 124:228.0 126:270.0 127: |  |  |  | 4001 | 3602 | 4744 | 5436 | 5524 | 4563 | 4674 | 4159 | 3590 | 4234 | 4159 | 5626 | 3845 | 3797 | 5194 | 4113 | 4728 | 3783 | 3887 | 5069 | 4132 | 4567 | 3502 | 4355 | 5220 | 4234 | 3776 | 5508 | 4041 | 4485 | 3672 | 3821 | 3648 | 5525 | 4805 | 4399 | 3858 | 5577 | 3246 | 4070 | 4508 | 3730 | 2702 | 4328.116279069767 | 107.0646879595006 | 4090 | 4559 | 4718 | 5511 | 6010 | 4751 | 4167 | 4961 | 4346 | 6358 | 3732 | 4035 | 4769.833333333333 | 235.4226641767546 | -441.7170542635658 | 0.06831844605860767 | 90.739360824692 |  |  |  | 224547
223597 | 1204498 | 297 | 223597 | 95:171.0 96:54.0 103:45.0 113:54.0 118:26.0 121:132.0 129:1581.0 130:88.0 142:10.0 162:17.0 165:14.0 166:4.0 177:26.0 178:51.0 187:8.0 192:44.0 193:207.0 194:99.0 195:12.0 197:76.0 207:906.0 208:257.0 209:213.0 211:32.0 218:11.0 222:7.0 224:1.0 235:17.0 2 |  |  |  | 937 | 1359 | 1913 | 1619 | 1498 | 1358 | 942 | 1042 | 1479 | 1094 | 1373 | 2222 | 680 | 1177 | 1918 | 1343 | 1651 | 2092 | 2062 | 2157 | 1345 | 2092 | 1878 | 1145 | 2520 | 1272 | 1162 | 1389 | 3350 | 1926 | 1966 | 538 | 1205 | 2013 | 1816 | 845 | 1415 | 2268 | 1022 | 1524 | 1608 | 1318 | 1621 | 1561.720930232558 | 81.75861431025409 | 1609 | 1849 | 1763 | 2021 | 2460 | 2064 | 909 | 1097 | 1837 | 1420 | 1273 | 2360 | 1721.833333333333 | 138.8877808036605 | -160.1124031007751 | 0.3546393013534553 | 90.70105102502517 |  |  |  | 223597
[NAME] | 665209 | 103 | 210512 | 87:53.0 88:13.0 89:235.0 90:5.0 91:1317.0 92:880.0 93:94.0 97:12.0 101:206.0 102:10.0 103:1703.0 104:117.0 105:44.0 113:10.0 115:13.0 116:26.0 117:949.0 118:40.0 119:26.0 121:2.0 127:13.0 129:770.0 130:38.0 131:241.0 132:7.0 133:424.0 134:66.0 135:4.0 138 | 6251 | C00392 |  | 24818 | 17474 | 2285 | 19274 | 1539 | 3224 | 19016 | 18665 | 19625 | 3211 | 17766 | 1525 | 467 | 22793 | 9452 | 18592 | 12738 | 19498 | 3906 | 15656 | 18573 | 34225 | 16139 | 2228 | 22597 | 5666 | 16244 | 23129 | 19860 | 2987 | 29478 | 798 | 15763 | 15577 | 1981 | 196186 | 3263 | 15486 | 2307 | 2811 | 8113 | 21017 | 1172 | 16909.86046511628 | 4486.284774157897 | 13170 | 12739 | 11184 | 14131 | 10967 | 96441 | 6780 | 14016 | 7946 | 10274 | 16423 | 10623 | 18724.5 | 7107.417439484677 | -1814.639534883721 | 0.8460625001465472 | 90.30874237024369 |  |  |  | [NAME]
2-phenylpropanol | 319992 | 193 | 212666 | 85:59.0 86:5.0 89:1243.0 90:122.0 91:1163.0 92:27.0 97:65.0 99:35.0 100:52.0 102:27.0 103:183.0 104:26.0 105:173.0 112:85.0 115:220.0 117:128.0 118:71.0 119:219.0 121:14.0 123:26.0 128:29.0 130:64.0 131:41.0 135:54.0 139:72.0 142:71.0 143:48.0 146:16.0 14 | 447661 |  |  | 36108 | 34292 | 41325 | 47859 | 51783 | 34173 | 39024 | 40081 | 32162 | 44545 | 31513 | 48903 | 40383 | 44015 | 51176 | 38374 | 44915 | 34897 | 35012 | 37356 | 35433 | 40222 | 30207 | 40366 | 42447 | 40800 | 35016 | 43889 | 36493 | 39759 | 36332 | 35470 | 27375 | 50271 | 46127 | 42304 | 33874 | 50636 | 30728 | 35473 | 42011 | 35200 | 25020 | 39147.65116279069 | 981.3399978880102 | 38686 | 38876 | 46808 | 49549 | 56195 | 39144 | 40240 | 44780 | 42013 | 53539 | 30442 | 40310 | 43381.83333333334 | 2074.384888139476 | -4234.182170542641 | 0.0545886682972782 | 90.23973436528506 |  |  |  | 2-phenylpropanol
269983 | 494553 | 263 | 269983 | 85:1289.0 86:84.0 87:1978.0 88:29.0 90:147.0 91:1633.0 94:217.0 95:249.0 96:73.0 97:376.0 99:370.0 100:393.0 102:54.0 103:17.0 105:324.0 107:75.0 108:462.0 109:68.0 110:11057.0 111:173.0 112:43.0 113:30.0 114:11920.0 115:2542.0 116:895.0 117:98.0 118:980. |  |  |  | 5175 | 4433 | 5891 | 6925 | 6732 | 6129 | 6569 | 5637 | 4918 | 5427 | 7210 | 6096 | 5807 | 5107 | 5914 | 5708 | 5907 | 5109 | 5507 | 5402 | 5065 | 5764 | 5314 | 8693 | 5632 | 5600 | 5111 | 6187 | 6221 | 5283 | 4487 | 5082 | 9636 | 6883 | 5720 | 5872 | 5378 | 6577 | 4404 | 5773 | 6147 | 6813 | 3769 | 5837.53488372093 | 159.1110978894325 | 5803 | 6357 | 6758 | 8379 | 6701 | 6147 | 5213 | 7131 | 6277 | 7650 | 5851 | 5404 | 6472.583333333333 | 265.5558623629945 | -635.0484496124027 | 0.06169289165462279 | 90.18864003894784 |  |  |  | 269983
272306 | 253512 | 193 | 272306 | 85:369.0 86:1519.0 87:4761.0 88:264.0 89:92.0 90:606.0 91:434.0 92:100.0 93:386.0 94:50.0 95:366.0 96:763.0 97:5304.0 98:1948.0 99:25.0 100:1824.0 101:101.0 102:92.0 103:88.0 104:325.0 105:661.0 106:923.0 107:3989.0 108:984.0 109:155.0 110:2038.0 111:492. |  |  |  | 13669 | 12286 | 17813 | 19016 | 17724 | 14570 | 18948 | 19795 | 14554 | 18364 | 14088 | 19630 | 10624 | 15738 | 17259 | 15233 | 17596 | 14704 | 14152 | 17085 | 14263 | 18890 | 14048 | 15733 | 15997 | 16097 | 14684 | 16114 | 12786 | 15661 | 11320 | 10545 | 12639 | 19751 | 19110 | 15163 | 14169 | 19925 | 17732 | 15425 | 16851 | 12623 | 9008 | 15613.53488372093 | 418.1155389722462 | 15472 | 20388 | 15703 | 22392 | 21658 | 15979 | 15838 | 20976 | 13539 | 19850 | 12830 | 13759 | 17365.33333333333 | 995.6717188497274 | -1751.798449612403 | 0.0701160405547989 | 89.91209430889664 |  |  |  | 272306
231657 | 286430 | 187 | 231657 | 85:4137.0 86:2640.0 87:774.0 88:2861.0 89:2413.0 90:620.0 93:1415.0 94:1220.0 95:11260.0 96:1824.0 97:421.0 98:14633.0 99:2747.0 101:4297.0 102:630.0 105:5466.0 106:409.0 108:166.0 110:95.0 111:333.0 112:1569.0 113:631.0 114:410.0 115:818.0 116:7222.0 117 |  |  |  | 3100 | 2435 | 3805 | 4459 | 3512 | 2973 | 3203 | 3617 | 2428 | 3442 | 2619 | 4583 | 4283 | 3558 | 4712 | 3149 | 3051 | 2653 | 2630 | 3059 | 2897 | 3514 | 3347 | 3517 | 5222 | 3010 | 3610 | 3749 | 2578 | 3240 | 2624 | 3999 | 4542 | 3020 | 2924 | 3977 | 3119 | 3961 | 2729 | 1839 | 3485 | 3697 | 2702 | 3362.162790697675 | 107.6110461002143 | 3291 | 3887 | 2928 | 4152 | 4525 | 3455 | 2670 | 5005 | 4239 | 3637 | 3206 | 3971 | 3747.166666666667 | 196.4145212081176 | -385.0038759689919 | 0.09816360087825027 | 89.72546699366653 |  |  |  | 231657
281107 | 206299 | 119 | 281107 | 85:103379.0 86:56871.0 90:915.0 91:29797.0 93:14434.0 95:5068.0 96:4668.0 100:12632.0 101:2970.0 107:34519.0 108:28.0 109:7537.0 110:4638.0 111:1375.0 112:13197.0 113:376.0 119:136683.0 124:203.0 125:14134.0 126:7885.0 127:8704.0 128:2133.0 130:32449.0 13 |  |  |  | 165587 | 185600 | 271758 | 259841 | 246780 | 191954 | 271146 | 278904 | 206557 | 255090 | 227063 | 311408 | 229232 | 219772 | 275114 | 229103 | 255178 | 185391 | 229035 | 175932 | 206134 | 295459 | 219304 | 205433 | 247332 | 259700 | 220084 | 245703 | 155579 | 251757 | 131689 | 189213 | 186045 | 290885 | 274408 | 207299 | 186501 | 281521 | 231000 | 224816 | 246307 | 188283 | 110686 | 226176.3488372093 | 6772.168534025785 | 232717 | 282841 | 148017 | 338800 | 317709 | 238554 | 232994 | 266773 | 318803 | 247877 | 153834 | 246967 | 252157.1666666667 | 17164.28660781013 | -25980.81782945734 | 0.1027031271435896 | 89.69657766507105 |  |  |  | 281107
200411 | 595016 | 116 | 200411 | 85:73.0 86:32.0 87:930.0 88:807.0 89:746.0 90:87.0 91:70.0 92:51.0 94:8.0 95:63.0 96:6.0 97:4.0 98:23.0 99:167.0 100:40.0 101:2362.0 102:298.0 103:4271.0 104:348.0 105:300.0 106:8.0 107:8.0 109:24.0 110:3.0 111:31.0 112:1.0 113:207.0 114:29.0 115:254.0 11 |  |  |  | 5991 | 7437 | 6160 | 6097 | 5286 | 7102 | 7451 | 8129 | 5478 | 8401 | 5663 | 6553 | 4890 | 7903 | 5881 | 6560 | 3131 | 6633 | 5152 | 6348 | 6626 | 5952 | 6301 | 9521 | 5319 | 5611 | 7970 | 7423 | 5104 | 4751 | 7034 | 7004 | 11524 | 3371 | 5942 | 7581 | 7502 | 8781 | 5670 | 5863 | 6646 | 8562 | 4991 | 6541.744186046511 | 236.2983972658583 | 7825 | 7075 | 6561 | 6681 | 6603 | 6317 | 5649 | 7569 | 8685 | 10047 | 7059 | 7685 | 7313 | 339.0528697487289 | -771.2558139534885 | 0.1162802308948613 | 89.45363306504186 |  |  |  | 200411
224849 | 535229 | 275 | 224849 | 85:260.0 87:7.0 90:219.0 91:6.0 93:245.0 100:72.0 101:66.0 102:231.0 103:485.0 104:1.0 107:1072.0 108:365.0 109:305.0 110:2101.0 114:511.0 116:93.0 117:416.0 118:329.0 119:200.0 120:7.0 121:30.0 122:78.0 123:49.0 126:530.0 130:1260.0 132:11.0 133:198.0 13 |  |  |  | 725 | 670 | 847 | 997 | 942 | 697 | 902 | 902 | 889 | 950 | 853 | 1137 | 791 | 962 | 1361 | 824 | 966 | 722 | 740 | 1046 | 795 | 829 | 919 | 1001 | 1158 | 865 | 733 | 1122 | 785 | 791 | 855 | 772 | 1181 | 1285 | 892 | 905 | 1169 | 1101 | 817 | 734 | 947 | 1122 | 495 | 911.5348837209302 | 26.99498228337524 | 964 | 1297 | 1141 | 1221 | 1121 | 908 | 905 | 1085 | 974 | 1212 | 624 | 779 | 1019.25 | 57.00692740998477 | -107.7151162790698 | 0.07467918455046592 | 89.43192383820752 |  |  |  | 224849
239859 | 797156 | 218 | 239859 | 86:35.0 90:2.0 92:58.0 100:1935.0 101:118.0 102:58.0 106:68.0 108:50.0 110:16.0 114:106.0 115:196.0 116:351.0 117:18.0 128:2.0 130:142.0 131:321.0 132:448.0 138:15.0 144:93.0 146:3657.0 147:1107.0 148:941.0 150:91.0 158:4.0 160:94.0 161:54.0 172:67.0 173: |  |  |  | 1809 | 4870 | 2438 | 2793 | 3102 | 2799 | 3539 | 5157 | 3026 | 3920 | 2192 | 3222 | 3827 | 7776 | 4052 | 3879 | 2662 | 2740 | 4476 | 3014 | 3421 | 7205 | 2424 | 1826 | 1900 | 3531 | 2677 | 2914 | 3072 | 2641 | 6129 | 2748 | 2458 | 3440 | 5574 | 4890 | 4464 | 2587 | 1198 | 7031 | 4994 | 2609 | 3051 | 3583.186046511628 | 226.5765298333729 | 4300 | 3980 | 4827 | 4228 | 4890 | 4661 | 2205 | 7273 | 1382 | 3539 | 2362 | 4491 | 4011.5 | 443.6323126056969 | -428.3139534883721 | 0.3846284726624661 | 89.32284797486297 |  |  |  | 239859
lactic acid | 215380 | 191 | 228677 | 85:1068.0 86:183.0 89:1393.0 90:432.0 91:326.0 92:736.0 93:602.0 94:101.0 96:44.0 97:26.0 102:3921.0 103:3541.0 104:272.0 105:2212.0 106:1149.0 107:21191.0 108:1940.0 109:1184.0 110:6666.0 111:560.0 112:69.0 114:303.0 115:3026.0 116:220.0 117:75044.0 118: | 61503 | C00256 |  | 289492 | 304819 | 332726 | 261582 | 463090 | 216811 | 533053 |  | 390517 | 527829 | 249577 | 370509 | 276063 | 455669 | 107023 | 289105 | 542092 | 314946 | 432529 | 450158 | 456316 | 330681 | 261987 | 347101 | 318292 | 511564 | 292212 | 250783 | 150087 | 384526 | 314620 | 373893 | 321462 | 494476 | 314622 | 285796 | 188177 | 314110 | 512399 | 541006 | 451998 | 296210 | 253868 | 351756.5714285714 | 17014.02916442286 | 277671 | 385561 | 487491 | 390945 | 812279 | 474265 |  | 222273 | 407280 | 278575 | 175707 | 420364 | 393855.5454545455 | 51794.12580721761 | -42098.97402597405 | 0.3237451136010446 | 89.31106226335142 |  |  |  | lactic acid
281125 | 566380 | 94 | 281125 | 85:12.0 89:6.0 92:1208.0 93:1905.0 94:18607.0 95:1659.0 96:21.0 100:196.0 102:459.0 103:683.0 104:68.0 106:454.0 107:756.0 108:3935.0 109:6265.0 110:2770.0 112:93.0 114:138.0 116:188.0 117:108.0 118:360.0 119:542.0 120:798.0 121:930.0 122:216.0 124:220.0 |  |  |  | 16604 | 24895 | 8881 | 23793 | 1642 | 25189 | 11373 | 34523 | 24685 | 13999 | 29534 | 9846 | 21886 | 5835 | 5108 | 20754 | 3003 | 29474 | 25343 | 7713 | 22651 | 10401 | 63324 | 28665 | 2795 | 14395 | 20656 | 4088 | 1933 | 4616 | 3091 | 16934 | 20674 | 4314 | 11162 | 4851 | 22485 | 7514 | 19784 | 26792 | 13741 | 29955 | 12960 | 16554.90697674419 | 1821.18574537959 | 18222 | 32802 | 2521 | 12008 | 3671 | 14366 | 11341 | 17938 | 38228 | 25597 | 21291 | 24714 | 18558.25 | 3109.832242686335 | -2003.343023255813 | 0.6024291616626118 | 89.20510811495797 |  |  |  | 281125
urea | 331223 | 171 | 199770 | 85:10021.0 86:8226.0 87:25184.0 88:3654.0 89:1713.0 90:2155.0 91:361.0 92:255.0 93:55.0 94:28.0 95:54.0 96:993.0 97:1524.0 98:1720.0 99:75508.0 100:40526.0 101:12058.0 102:6516.0 103:4893.0 104:1169.0 105:2159.0 106:314.0 107:362.0 108:33.0 109:27.0 110:1 | 1176 | C00086 |  | 663698 | 569848 | 659779 | 745955 | 695389 | 735761 | 916948 | 728587 | 169115 | 704033 | 702259 | 571354 | 695905 | 699811 | 410431 | 619520 | 815878 | 121900 | 173743 | 603072 | 675753 | 830191 | 578738 | 676176 | 686350 | 1265815 | 669804 | 607425 | 2578890 | 832308 | 743533 | 597060 | 663615 | 323632 | 1033750 | 789830 | 759023 | 630461 | 490186 | 165326 | 772036 | 324768 | 444691 | 677729 | 56705.60253336706 | 725140 | 629647 | 683185 | 971902 | 1283249 | 746095 | 666048 | 873335 | 802333 | 898450 | 672432 | 194913 | 762227.4166666666 | 73472.17637428209 | -84498.41666666663 | 0.463814110591901 | 88.91427744278857 |  |  |  | urea
226909 | 861795 | 290 | 226909 | 87:12.0 88:130.0 91:71.0 94:32.0 95:10.0 97:169.0 100:87.0 103:214.0 105:254.0 110:114.0 112:82.0 114:30.0 116:248.0 118:32.0 124:48.0 128:42.0 129:46.0 135:70.0 136:288.0 142:9.0 144:252.0 151:164.0 152:67.0 157:7.0 158:21.0 168:84.0 171:65.0 172:89.0 17 |  |  |  | 1411 | 1013 | 2289 | 2288 | 1222 | 1049 | 4418 | 1775 | 1388 | 1273 | 1727 | 2737 | 2643 | 2610 | 1382 | 1752 | 1704 | 744 | 922 | 1522 | 950 | 1114 | 3302 | 1235 | 1604 | 1376 | 1331 | 2867 | 1305 | 1310 | 1251 | 1330 | 2738 | 2708 | 1161 | 1619 | 1044 | 1813 | 1943 | 886 | 1349 | 2395 | 979 | 1708.813953488372 | 116.8214046884001 | 2059 | 1256 | 3088 | 2103 | 1604 | 1678 | 2137 | 1826 | 1630 | 2946 | 1397 | 1366 | 1924.166666666667 | 169.4305897631084 | -215.3527131782946 | 0.3719145184269532 | 88.80800104746844 |  |  |  | 226909
281328 | 278237 | 220 | 281328 | 85:2282.0 86:3239.0 88:316.0 89:231.0 90:323.0 92:26.0 97:184.0 99:756.0 100:2745.0 101:948.0 106:7.0 107:936.0 108:171.0 110:9.0 111:513.0 112:28.0 114:492.0 116:276.0 117:22692.0 118:2073.0 119:399.0 120:15.0 121:3.0 125:282.0 127:783.0 132:57.0 133:240 |  |  |  | 3041 | 2522 | 3284 | 3439 | 3407 | 3209 | 3306 | 3437 | 2638 | 3468 | 3126 | 3714 | 2934 | 2851 | 3005 | 3101 | 3182 | 2627 | 2706 | 3159 | 2676 | 3290 | 2605 | 3166 | 3229 | 2918 | 2972 | 3646 | 2741 | 2745 | 2430 | 3028 | 1710 | 3443 | 3272 | 3039 | 2722 | 3728 | 2986 | 2768 | 3248 | 2618 | 1865 | 3000.023255813954 | 64.84702578729005 | 3127 | 3453 | 3085 | 4329 | 3810 | 3175 | 3029 | 3627 | 3371 | 4172 | 2658 | 2715 | 3379.25 | 152.2295478127447 | -379.2267441860463 | 0.01234035643878609 | 88.77778370389743 |  |  | *** | 281328
228927 | 313497 | 165 | 228927 | 85:170.0 86:164.0 87:634.0 89:719.0 90:320.0 92:432.0 93:234.0 94:1279.0 95:3915.0 96:4320.0 97:4300.0 98:4249.0 99:271.0 100:2860.0 101:1572.0 103:515.0 104:1548.0 105:246.0 106:640.0 107:936.0 108:733.0 109:2437.0 110:13457.0 111:3919.0 112:1575.0 113:4 |  |  |  | 26286 | 22046 | 17347 | 32936 | 38878 | 25251 | 32837 | 29144 | 22727 | 32104 | 26304 | 34688 | 7157 | 29905 | 31770 | 25663 | 29610 | 22704 | 24581 | 31936 | 23839 | 32453 | 20941 | 28516 | 31712 | 24079 | 18167 | 33822 | 28190 | 27097 | 26495 | 25387 | 25454 | 35901 | 33734 | 32099 | 25350 | 35357 | 24768 | 26868 | 33162 | 24987 | 17019 | 27424.90697674419 | 918.9493753138745 | 18131 | 28283 | 17826 | 40528 | 37177 | 30917 | 30782 | 36596 | 38535 | 40924 | 23910 | 27219 | 30902.33333333333 | 2346.123276661507 | -3477.426356589145 | 0.1081585753380986 | 88.74704275861862 |  |  |  | 228927
[NAME] | 281322 | 165 | 200353 | 85:355.0 87:17.0 89:148.0 90:68.0 91:2918.0 92:258.0 93:18.0 95:12.0 96:1.0 99:7.0 100:27.0 103:17.0 104:25.0 105:86.0 106:17.0 107:34.0 108:4.0 110:11.0 112:54.0 113:18.0 114:7.0 115:13.0 116:5.0 117:153.0 118:24.0 119:69.0 120:9.0 121:5.0 122:6.0 123:5. | 244 | C00556 |  | 14323 | 13527 | 16961 | 17577 | 17227 | 14352 | 16642 | 22882 | 13779 | 18491 | 13560 | 18797 | 14965 | 12515 | 18208 | 14333 | 17110 | 13852 | 13870 | 16869 | 12227 | 17777 | 12586 | 15445 | 16829 | 15573 | 14423 | 18726 | 15118 | 15890 | 12814 | 14301 | 12673 | 21770 | 18472 | 14719 | 15554 | 21700 | 13802 | 14443 | 16908 | 14792 | 10502 | 15741.48837209302 | 405.4753733266807 | 15300 | 13807 | 17034 | 19510 | 24128 | 18044 | 15201 | 18837 | 17872 | 24778 | 13224 | 15409 | 17762 | 1062.355844053178 | -2020.511627906977 | 0.03751765595208068 | 88.6245263601679 |  |  | *** | [NAME]
227298 | 374409 | 211 | 227298 | 85:1689.0 86:3277.0 88:582.0 89:100.0 92:215.0 93:141.0 94:529.0 95:106.0 96:8291.0 97:1163.0 98:3996.0 99:1513.0 100:12655.0 101:1217.0 102:453.0 103:416.0 104:36.0 105:2.0 106:394.0 108:136.0 109:52.0 110:1728.0 111:748.0 112:805.0 113:6660.0 114:1075.0 |  |  |  | 1351 | 1557 | 1568 | 1608 | 1422 | 1545 | 1478 | 1900 | 1707 | 1800 | 1933 | 2033 | 1791 | 1290 | 1390 | 1415 | 1427 | 1769 | 1482 | 1247 | 1633 | 1349 | 1953 | 1602 | 1347 | 1304 | 1592 | 1565 | 1458 | 1177 | 1236 | 1516 | 1969 | 1697 | 1549 | 1864 | 1532 | 1733 | 1440 | 1571 | 1673 | 2708 | 758 | 1579.976744186047 | 46.07451579722964 | 1723 | 1736 | 1928 | 1689 | 1702 | 1605 | 1275 | 2157 | 2517 | 1830 | 1457 | 1782 | 1783.416666666667 | 92.07601095252376 | -203.4399224806202 | 0.04651542829894843 | 88.59268693160394 |  |  | *** | 227298
227353 | 306967 | 218 | 227353 | 85:3203.0 86:8248.0 87:307.0 90:422.0 91:10.0 93:203.0 96:17.0 97:337.0 99:22.0 100:4388.0 101:139.0 102:225.0 103:2917.0 108:242.0 110:735.0 111:790.0 112:183.0 113:344.0 114:1314.0 115:143.0 116:34.0 117:280.0 118:13.0 122:109.0 125:12.0 126:130.0 127:4 |  |  |  | 2052 | 2112 | 2332 | 2621 | 2679 | 2227 | 2412 | 2584 | 2058 | 2390 | 2584 | 2510 | 2274 | 1733 | 2308 | 2129 | 2118 | 2132 | 2060 | 2257 | 2045 | 2310 | 2145 | 2634 | 2182 | 2076 | 2092 | 2606 | 2062 | 1871 | 1809 | 1747 | 2009 | 2305 | 2285 | 2263 | 2286 | 2469 | 1833 | 2232 | 2507 | 2669 | 1376 | 2218.255813953489 | 43.25665879930852 | 2293 | 2381 | 2549 | 2675 | 2391 | 2510 | 2168 | 2774 | 2743 | 3381 | 1924 | 2281 | 2505.833333333333 | 106.6662760409516 | -287.5775193798449 | 0.005383084584365407 | 88.52367731108035 |  |  | *** | 227353
201887 | 1200427 | 316 | 201887 | 85:2.0 86:8.0 87:5.0 89:34.0 91:1089.0 92:53.0 93:14.0 94:6.0 95:132.0 96:11.0 97:18.0 98:5.0 99:78.0 101:26.0 102:59.0 103:656.0 104:27.0 105:785.0 106:33.0 107:359.0 108:59.0 109:63.0 113:13.0 115:819.0 116:203.0 117:475.0 118:86.0 119:616.0 120:70.0 12 |  |  |  | 1311 | 1769 | 1526 | 1884 | 1956 | 1297 | 1109 | 1540 | 1367 | 1144 | 1442 | 1749 | 880 | 1562 | 1700 | 1574 | 1182 | 1625 | 1365 | 1185 | 1683 | 1982 | 1604 | 1885 | 1761 | 1640 | 1597 | 1913 | 2544 | 1397 | 1435 | 681 | 1354 | 1831 | 1482 | 821 | 1589 | 1628 | 1194 | 1634 | 1507 | 1818 | 1040 | 1515.976744186047 | 52.80382725872757 | 2024 | 2270 | 2158 | 1929 | 1703 | 1570 | 1011 | 1312 | 2350 | 1423 | 1203 | 1627 | 1715 | 125.6233548060522 | -199.0232558139535 | 0.1021441929144947 | 88.39514543358872 |  |  |  | 201887
227743 | 627324 | 156 | 227743 | 85:107.0 86:173.0 87:50.0 88:366.0 90:114.0 94:141.0 96:309.0 98:158.0 99:162.0 100:330.0 101:120.0 108:75.0 110:143.0 112:1303.0 113:33.0 114:1140.0 115:228.0 122:70.0 123:9.0 124:33.0 127:256.0 128:338.0 129:193.0 132:47.0 138:42.0 139:17.0 140:215.0 14 |  |  |  | 23859 | 20565 | 26927 | 28175 | 25226 | 28237 | 22501 | 28979 | 20659 | 21923 | 28372 | 16190 | 21343 | 14293 | 15018 | 21634 | 11092 | 26476 | 22065 | 16378 | 21288 | 20030 | 19117 | 30566 | 18382 | 17644 | 21447 | 17005 | 21527 | 12974 | 22881 | 22801 | 16694 | 14976 | 19938 | 28055 | 23492 | 16648 | 15296 | 23892 | 16708 | 26410 | 14226 | 20974.62790697674 | 747.3370984199181 | 19100 | 30417 | 27454 | 23454 | 8654 | 24163 | 19957 | 27842 | 27508 | 26122 | 25467 | 24683 | 23735.08333333333 | 1657.477489487133 | -2760.455426356588 | 0.1023680480054869 | 88.36972515499943 |  |  |  | 227743
threonic acid | 497167 | 292 | 199262 | 86:2.0 89:214.0 90:4.0 92:93.0 93:57.0 95:1.0 99:8.0 100:9.0 101:144.0 102:985.0 103:1234.0 104:105.0 105:26.0 107:28.0 108:10.0 113:18.0 115:5.0 116:4.0 117:1493.0 118:105.0 119:89.0 123:1.0 127:13.0 129:137.0 130:742.0 131:341.0 132:49.0 133:624.0 134:7 | 439535 | C01620 |  | 3367 | 2102 | 3790 | 4626 | 4870 | 1254 | 4253 | 1409 | 4391 | 3247 | 8015 | 2577 | 2451 | 10225 | 3685 | 3922 | 3601 | 2986 | 12020 | 3429 | 9766 | 10140 | 3257 | 6062 | 9551 | 4891 | 8079 | 6569 | 3618 | 3424 | 1879 | 13804 | 5555 | 3612 | 5445 | 3392 | 2976 | 8493 | 6682 | 3178 | 4700 | 9025 | 4757 | 5234.302325581395 | 453.9065396882301 | 3127 | 4563 | 11307 | 4673 | 13156 | 4496 | 3407 | 3445 | 6338 | 6153 | 3576 | 7137 | 5948.166666666667 | 930.2991522226939 | -713.8643410852719 | 0.473576222124952 | 87.99858206587007 |  |  |  | threonic acid
218520 | 232023 | 147 | 218520 | 85:508.0 86:130.0 87:579.0 93:146.0 94:67.0 95:143.0 96:115.0 97:178.0 98:75.0 99:442.0 101:397.0 102:32.0 103:4685.0 104:570.0 105:903.0 107:150.0 110:113.0 111:35.0 112:43.0 113:133.0 114:335.0 115:499.0 117:1425.0 118:327.0 119:163.0 120:220.0 122:4.0 |  |  |  | 694307 | 680806 | 929181 | 959280 | 955747 | 787222 | 963510 | 976750 | 751209 | 967243 | 835952 | 1033286 | 799123 | 866285 | 922703 | 781756 | 920240 | 714414 | 810677 | 931443 | 769384 | 1002612 | 761180 | 863645 | 855918 | 877395 | 767118 | 881606 | 667393 | 804700 | 614864 | 748427 | 663315 | 1093357 | 985150 | 793458 | 794475 | 1061555 | 855955 | 831709 | 927705 | 740099 | 486803 | 840208.3023255814 | 19317.17165704739 | 847505 | 995379 | 880344 | 1155457 | 1119860 | 893001 | 852698 | 1031040 | 1058732 | 1085511 | 670693 | 878543 | 955730.25 | 40887.4874464513 | -115521.9476744186 | 0.008726374398030567 | 87.91270364473463 |  |  | *** | 218520
tocopherol alpha | 1067178 | 237 | 199211 | 85:104.0 87:137.0 88:41.0 89:11.0 90:4.0 91:148.0 93:40.0 95:122.0 96:126.0 97:86.0 98:19.0 99:27.0 100:8.0 101:6.0 103:9.0 104:17.0 105:75.0 106:13.0 107:39.0 109:47.0 110:20.0 111:25.0 112:5.0 114:8.0 115:35.0 116:21.0 117:59.0 118:15.0 119:154.0 120:35 | 14985 | C02477 |  | 29783 | 11066 | 12992 | 26836 | 10778 | 19278 | 30177 | 13286 | 18825 | 21343 | 17415 | 16151 | 13081 | 21622 | 19598 | 24011 | 34030 | 23300 | 24056 | 22133 | 16543 | 26013 | 16011 | 16322 | 18940 | 17747 | 11414 | 18948 | 21287 | 22930 | 25633 | 10392 | 13836 | 12973 | 34888 | 16429 | 15022 | 30330 | 8384 | 11479 | 22557 | 13741 | 17478 | 19280.41860465116 | 1000.891480943465 | 25450 | 15575 | 15225 | 36574 | 17293 | 67541 | 5257 | 14590 | 7836 | 19163 | 18509 | 20303 | 21943 | 4740.664887519216 | -2662.581395348836 | 0.3941342729077943 | 87.86591899307827 |  |  |  | tocopherol alpha
[NAME] | 373972 | 189 | 228009 | 85:1195.0 86:478.0 87:434.0 88:161.0 89:1066.0 90:229.0 94:1.0 96:9.0 99:243.0 100:283.0 101:1791.0 102:6647.0 103:5903.0 104:836.0 105:324.0 106:59.0 107:480.0 108:13.0 109:43.0 110:37.0 112:44.0 113:165.0 114:56.0 115:300.0 116:271.0 117:3735.0 118:267. | 439194 | C00258 |  | 18703 | 15148 | 18639 | 27622 | 17596 | 12600 | 36996 | 15027 | 16777 | 26006 | 26845 | 20266 | 10502 | 25477 | 16785 | 29837 | 22450 | 20840 | 21569 | 25366 | 27859 | 23920 | 19551 | 24205 | 24468 | 16762 | 20195 | 23997 | 16434 | 27342 | 14548 | 28943 | 17543 | 28506 | 32238 | 17215 | 20695 | 45806 | 25610 | 15123 | 35063 | 23906 | 14654 | 22549.62790697674 | 1074.359555816979 | 21560 | 16578 | 24227 | 40866 | 32717 | 30612 | 14822 | 19698 | 23289 | 37371 | 24190 | 22067 | 25666.41666666667 | 2331.827068339635 | -3116.788759689924 | 0.1948742280686998 | 87.8565488896713 |  |  |  | [NAME]
211916 | 440480 | 100 | 211916 | 85:398.0 86:294.0 87:130.0 88:150.0 89:94.0 90:8.0 91:54.0 92:19.0 93:19.0 94:25.0 95:15.0 96:151.0 97:80.0 98:328.0 99:122.0 100:1271.0 101:544.0 102:986.0 103:94.0 104:76.0 105:9.0 106:12.0 107:34.0 108:97.0 109:17.0 110:391.0 111:32.0 112:135.0 113:99. |  |  |  | 14818 | 15754 | 14044 | 16675 | 13721 | 14200 | 12770 | 16201 | 11166 | 13860 | 19240 | 14670 | 16011 | 13048 | 11831 | 13771 | 11649 | 13826 | 14358 | 12164 | 11552 | 13477 | 12989 | 16775 | 12164 | 12604 | 12522 | 14781 | 11676 | 10366 | 11324 | 13351 | 13726 | 13437 | 13544 | 14602 | 2260 | 13917 | 16481 | 18951 | 13236 | 20136 | 8528 | 13632 | 442.2399618212631 | 15745 | 17337 | 18771 | 10734 | 13365 | 13091 | 13228 | 17586 | 18091 | 18035 | 13518 | 16794 | 15524.58333333333 | 756.0798564759451 | -1892.583333333334 | 0.04651979037362584 | 87.80911994417457 |  |  | *** | 211916
224539 | 566862 | 296 | 224539 | 85:1190.0 86:109.0 88:351.0 90:18.0 91:292.0 92:122.0 93:639.0 94:1784.0 95:1110.0 96:616.0 97:604.0 98:858.0 99:290.0 100:623.0 101:243.0 102:38.0 103:318.0 104:119.0 105:270.0 106:110.0 108:1088.0 109:765.0 110:1421.0 111:1130.0 112:860.0 113:293.0 114: |  |  |  | 397 | 755 | 493 | 529 | 562 | 534 | 448 | 842 | 480 | 332 | 820 | 533 | 683 | 676 | 500 | 414 | 374 | 793 | 736 | 438 | 391 | 460 | 677 | 897 | 432 | 288 | 793 | 515 | 516 | 410 | 460 | 538 | 1074 | 512 | 549 | 800 | 762 | 490 | 672 | 653 | 527 | 512 | 295 | 571.2093023255813 | 26.66914214990176 | 839 | 948 | 911 | 394 | 527 | 445 | 308 | 855 | 605 | 566 | 759 | 658 | 651.25 | 61.25779171219401 | -80.04069767441865 | 0.1866629763771748 | 87.7096817390528 |  |  |  | 224539
226855 | 511474 | 270 | 226855 | 85:3.0 86:142.0 89:5.0 91:84.0 93:77.0 94:72.0 97:3.0 98:322.0 100:424.0 101:43.0 103:13.0 108:344.0 110:605.0 111:3.0 113:110.0 114:841.0 115:12.0 117:9.0 124:61.0 125:434.0 126:5.0 129:13.0 133:30.0 134:501.0 136:2.0 138:16.0 140:70.0 142:55.0 143:120.0 |  |  |  | 3460 | 3168 | 3130 | 4177 | 2146 | 4097 | 2970 | 3074 | 2590 | 3718 | 2921 | 4490 | 5129 | 1775 | 2338 | 3546 | 1613 | 3141 | 2545 | 3479 | 3565 | 3156 | 4098 | 2697 | 1980 | 3709 | 3408 | 3864 | 1373 | 2279 | 1342 | 3649 | 2676 | 1699 | 2951 | 2100 | 2848 | 2757 | 3237 | 3002 | 3633 | 5288 | 2485 | 3053.558139534884 | 138.415388687054 | 2857 | 2626 | 2600 | 3718 | 1271 | 3594 | 3217 | 3864 | 6281 | 6124 | 2507 | 3153 | 3484.333333333333 | 416.947426620739 | -430.7751937984499 | 0.2109649368382014 | 87.63679726972782 |  |  |  | 226855
cholesterol | 1077630 | 129 | 199589 | 85:8465.0 86:846.0 87:1313.0 88:613.0 89:4318.0 90:691.0 91:59552.0 92:10176.0 93:46448.0 94:8829.0 95:64063.0 96:5451.0 97:14066.0 98:1361.0 99:3371.0 100:452.0 101:6226.0 102:1060.0 103:6277.0 104:3411.0 105:54128.0 106:11341.0 107:43357.0 108:8473.0 10 | 5997 | C00187 |  | 695359 | 572670 | 654687 | 913272 | 708901 | 709820 | 610587 | 642995 | 632373 | 668712 | 625143 | 788657 | 611254 | 780114 | 807895 | 772421 | 769763 | 724055 | 819732 | 704844 | 622801 | 739349 | 571872 | 654246 | 726636 | 724340 | 504724 | 869882 | 649659 | 746302 | 816846 | 450276 | 505890 | 1189398 | 502210 | 654580 | 580720 | 936641 | 618804 | 673278 | 805128 | 723508 | 576038 | 698985.6279069767 | 20283.60412206212 | 764290 | 628265 | 752080 | 928501 | 772860 | 842252 | 457047 | 599981 | 681746 | 792374 | 1855549 | 498066 | 797750.9166666666 | 104048.8090243504 | -98765.2887596899 | 0.1410190021079542 | 87.61953302763071 |  |  |  | cholesterol
217838 | 289054 | 214 | 217838 | 85:1007.0 86:7602.0 87:381.0 88:141.0 89:412.0 90:133.0 91:114.0 92:109.0 93:38.0 96:198.0 97:814.0 98:5171.0 99:2513.0 100:6837.0 101:658.0 102:901.0 106:119.0 107:148.0 109:41.0 110:75.0 111:97.0 112:258.0 113:1391.0 114:804.0 115:264.0 116:437.0 118:11 |  |  |  | 583 | 1037 | 677 | 797 | 700 | 860 | 481 | 1346 | 811 | 587 | 898 | 350 | 735 | 781 | 300 | 526 | 211 | 1147 | 876 | 344 | 757 | 405 | 1085 | 1294 | 335 | 345 | 1138 | 343 | 601 | 198 | 840 | 826 | 880 | 273 | 455 | 973 | 996 | 321 | 636 | 1055 | 643 | 1150 | 410 | 697.8139534883721 | 47.51309495796922 | 957 | 943 | 922 | 483 | 340 | 821 | 370 | 938 | 1280 | 848 | 855 | 809 | 797.1666666666666 | 78.43978904261859 | -99.3527131782945 | 0.320924825468933 | 87.53677024733918 |  |  |  | 217838
281363 | 710284 | 290 | 281363 | 86:58.0 90:56.0 95:31.0 97:574.0 98:362.0 100:618.0 101:151.0 102:85.0 103:3009.0 104:76.0 108:21.0 111:137.0 112:43.0 113:258.0 114:259.0 116:677.0 117:259.0 124:22.0 128:174.0 129:7.0 130:375.0 132:79.0 133:252.0 140:253.0 141:104.0 142:2.0 143:47.0 144 |  |  |  | 1859 | 1703 | 834 | 1544 | 500 | 1038 | 1863 | 1046 | 1725 | 763 | 2290 | 1670 | 1689 | 1664 | 501 | 1621 | 669 | 1828 | 2450 | 907 | 939 | 730 | 2014 | 1432 | 817 | 1325 | 1592 | 988 | 2050 | 381 | 685 | 1002 | 961 | 533 | 677 | 563 | 1616 | 595 | 1038 | 2280 | 801 | 3214 | 637 | 1279.860465116279 | 98.36669806579332 | 2448 | 2735 | 416 | 1838 | 499 | 1263 | 908 | 967 | 2063 | 1177 | 1626 | 1612 | 1462.666666666667 | 210.3198262003117 | -182.8062015503876 | 0.4023302378937723 | 87.50185495325518 |  |  |  | 281363
281185 | 226102 | 95 | 281185 | 91:5089.0 92:2691.0 93:4403.0 94:2716.0 95:15896.0 96:11210.0 97:147486.0 98:12255.0 99:3475.0 100:864.0 101:3304.0 102:1972.0 103:7704.0 104:3306.0 105:50803.0 106:10021.0 107:7900.0 108:1996.0 109:8349.0 110:6802.0 111:22023.0 112:57528.0 113:5499.0 114 |  |  |  | 15173 | 11069 | 10307 | 14852 | 19984 | 23784 | 16162 | 15802 | 13208 | 16816 | 13747 | 17998 | 23894 | 18472 | 10726 | 15292 | 11564 | 9465 | 9641 | 16982 | 22505 | 17559 | 28848 | 9192 | 25448 | 16162 | 23019 | 11354 | 11927 | 14179 | 14064 | 22397 | 6590 | 18201 | 16998 | 8503 | 23959 | 30265 | 26836 | 7489 | 14621 | 15441 | 8968 | 16266.58139534884 | 908.3372163444643 | 15479 | 16520 | 15186 | 37091 | 17030 | 26245 | 14272 | 18501 | 19556 | 13443 | 14284 | 15939 | 18628.83333333333 | 1947.218711289505 | -2362.251937984494 | 0.2430177488306188 | 87.31937800013692 |  |  |  | 281185
228900 | 243069 | 125 | 228900 | 85:139093.0 86:28809.0 87:2178.0 88:1466.0 89:416.0 91:3058.0 92:450.0 93:1799.0 94:303.0 95:3741.0 96:647.0 97:449.0 99:94.0 100:8406.0 101:1265.0 102:936.0 103:1030.0 105:310.0 106:304.0 107:4983.0 109:2099.0 110:20.0 111:150.0 112:2571.0 113:121.0 114: |  |  |  | 15435 | 16193 | 20133 | 20575 | 22356 | 18096 | 22402 | 23967 | 18357 | 20980 | 19412 | 23264 | 17720 | 15261 | 22698 | 17669 | 20767 | 17542 | 19400 | 21789 | 16030 | 21916 | 17079 | 21439 | 19812 | 19437 | 17401 | 20093 | 15474 | 19125 | 14005 | 16779 | 16833 | 24993 | 24109 | 17889 | 17835 | 24951 | 13318 | 19547 | 21562 | 17703 | 10510 | 19112.93023255814 | 488.2859781430406 | 19774 | 24484 | 21268 | 26254 | 25627 | 19508 | 17634 | 23442 | 24735 | 24255 | 15014 | 20903 | 21908.16666666667 | 1002.783397812955 | -2795.236434108527 | 0.01126406495300075 | 87.24112119175409 |  |  | *** | 228900
217866 | 237804 | 228 | 217866 | 85:1042.0 86:1495.0 87:337.0 88:822.0 89:135.0 90:563.0 91:1465.0 92:533.0 93:27.0 95:54.0 96:97.0 97:410.0 98:440.0 100:1472.0 101:1182.0 104:321.0 105:204.0 107:465.0 108:821.0 109:310.0 110:14638.0 111:1191.0 112:524.0 113:2468.0 114:134.0 115:918.0 11 |  |  |  | 106284 | 129084 | 132304 | 138163 | 133856 | 106471 | 119970 | 151298 | 115390 | 132764 | 166682 | 136755 | 136703 | 116457 | 119853 | 110927 | 124757 | 124776 | 121373 | 113263 | 113088 | 132004 | 138904 | 146265 | 113541 | 103301 | 132758 | 115184 | 97398 | 102957 | 93213 | 115322 | 118322 | 138163 | 129242 | 107319 | 123917 | 127577 | 132510 | 130910 | 132527 | 161747 | 65391 | 123457.9069767442 | 2764.123570456066 | 152828 | 147680 | 145011 | 147419 | 136261 | 121105 | 114373 | 160223 | 164340 | 148019 | 119933 | 142883 | 141672.9166666667 | 4584.689612206884 | -18215.00968992247 | 0.002644333575890446 | 87.1429133256433 |  |  | *** | 217866
benzoic acid | 338043 | 179 | 211970 | 85:107.0 86:2.0 89:295.0 90:77.0 91:199.0 92:26.0 93:34.0 94:6.0 95:15.0 99:6.0 100:568.0 101:59.0 103:359.0 104:77.0 105:12135.0 106:1028.0 107:108.0 108:16.0 109:26.0 110:46.0 113:1.0 114:119.0 116:215.0 117:244.0 118:31.0 119:114.0 120:50.0 121:73.0 12 | 243 | C00180 |  | 28796 | 26538 | 28733 | 32743 | 34527 | 30954 | 61471 | 32874 | 25892 | 34967 | 39280 | 45545 | 33541 | 31962 | 29519 | 33198 | 29872 | 31738 | 27072 | 36673 | 33709 | 28958 | 28270 | 34199 | 27279 | 26639 | 28144 | 30862 | 25209 | 30583 | 27908 | 24757 | 44519 | 36682 | 38305 | 35338 | 40751 | 40621 | 26516 | 40763 | 36851 | 32574 | 22290 | 32967.95348837209 | 1065.927911890982 | 29803 | 35281 | 35570 | 40735 | 38355 | 28724 | 28506 | 45082 | 47587 | 55093 | 28815 | 40544 | 37841.25 | 2444.915590428058 | -4873.296511627908 | 0.04647541366015376 | 87.12173484853723 |  |  | *** | benzoic acid
216428 | 505415 | 223 | 216428 | 85:214.0 86:24.0 91:566.0 92:31.0 93:250.0 94:32.0 95:117.0 97:120.0 99:28.0 100:19.0 101:44.0 102:7.0 103:130.0 105:468.0 106:28.0 107:263.0 108:40.0 109:139.0 110:14.0 111:23.0 112:11.0 115:161.0 117:1974.0 118:167.0 119:169.0 121:97.0 122:2.0 123:294.0 |  |  |  | 1652 | 1708 | 3719 | 2142 | 1257 | 1929 | 1456 | 2358 | 1552 | 3563 | 1400 | 6589 | 2640 | 4012 | 2367 | 3068 | 2672 | 1699 | 1990 | 1412 | 2197 | 3353 | 2090 | 4240 | 1249 | 1583 | 3794 | 5349 | 2573 | 952 | 3162 | 2853 | 1827 | 6177 | 2613 | 2199 | 3917 | 5168 | 2275 | 3603 | 3021 | 3032 | 2009 | 2753.976744186046 | 200.1244559843338 | 2134 | 6498 | 2888 | 2480 | 3402 | 5249 | 2028 | 1718 | 2375 | 4979 | 1626 | 2650 | 3168.916666666667 | 452.7011934828625 | -414.9399224806202 | 0.3575430181084981 | 86.90593770277056 |  |  |  | 216428
281111 | 236617 | 112 | 281111 | 85:1894.0 86:731.0 91:8062.0 92:909.0 93:5306.0 94:1518.0 95:24851.0 96:3922.0 97:14949.0 98:3124.0 99:580.0 104:1.0 107:2501.0 108:1248.0 109:9243.0 110:3096.0 111:5389.0 112:34805.0 113:11463.0 114:265.0 119:4114.0 120:361.0 121:633.0 122:1722.0 123:675 |  |  |  | 27662 | 27778 | 38148 | 38643 | 46038 | 25723 | 42832 | 46138 | 31639 | 41170 | 35620 | 42480 | 36710 | 26863 | 33916 | 32132 | 37238 | 24150 | 36880 | 37614 | 31204 | 46070 | 30758 | 35550 | 33734 | 35251 | 35370 | 34805 | 31815 | 33049 | 24720 | 28836 | 31901 | 44839 | 43561 | 30148 | 31455 | 43792 | 29371 | 35348 | 38658 | 26181 | 19238 | 34535.53488372093 | 1001.042056366484 | 34731 | 42187 | 37691 | 52749 | 44933 | 36508 | 34154 | 42911 | 45173 | 42471 | 27001 | 36442 | 39745.91666666666 | 1933.195730963935 | -5210.381782945733 | 0.01893491726409972 | 86.89077465078199 |  |  | *** | 281111
arginine + ornithine | 619420 | 142 | 199796 | 85:16.0 86:326.0 87:20.0 89:2.0 90:3.0 91:42.0 92:24.0 93:6.0 94:2.0 95:5.0 96:10.0 99:8.0 100:288.0 101:27.0 102:107.0 103:10.0 104:2.0 105:1.0 107:15.0 108:5.0 109:3.0 110:11.0 112:6.0 113:27.0 114:51.0 115:4.0 116:25.0 117:19.0 118:8.0 119:3.0 122:6.0 | 232 | C00062 |  | 58660 | 62849 | 137167 | 44834 | 74395 | 42044 | 41334 | 66565 | 96214 | 65043 | 108470 | 44456 | 89795 | 85748 | 50161 | 97077 | 26767 | 75691 | 55725 | 50188 | 136666 | 46713 | 37728 | 72510 | 53745 | 99960 | 102656 | 100706 | 87865 | 33952 | 55759 | 104369 | 102274 | 38549 | 84673 | 104027 | 91128 | 38028 | 55366 | 82151 | 91420 | 179028 | 66973 | 75335.55813953489 | 4859.079453843317 | 76083 | 108250 | 102142 | 94192 | 47369 | 97277 | 52001 | 102419 | 74046 | 93486 | 99064 | 94661 | 86749.16666666667 | 5776.13112998728 | -11413.60852713179 | 0.2458793689819416 | 86.84297617406685 |  |  |  | arginine + ornithine
281124 | 490965 | 291 | 281124 | 85:818.0 86:214.0 90:17.0 93:386.0 96:216.0 97:311.0 99:5.0 100:890.0 101:154.0 105:5.0 107:271.0 108:58.0 109:62.0 111:753.0 112:1211.0 113:498.0 116:53.0 122:244.0 124:186.0 126:79.0 127:889.0 128:392.0 129:248.0 130:350.0 134:845.0 138:1333.0 140:290.0 |  |  |  | 367 | 3503 | 251 | 402 | 339 | 306 | 385 | 2106 | 1565 | 269 | 1594 | 302 | 886 | 1642 | 230 | 524 | 273 | 770 | 695 | 250 | 343 | 505 | 2783 | 1545 | 179 | 436 | 3168 | 781 | 575 | 253 | 589 | 706 | 3410 | 222 | 711 | 649 | 1016 | 226 | 1991 | 1352 | 223 | 2007 | 395 | 947.0697674418604 | 139.9165128197286 | 4526 | 732 | 1834 | 350 | 316 | 434 | 284 | 1244 | 839 | 308 | 1253 | 968 | 1090.666666666667 | 342.1648179258975 | -143.5968992248063 | 0.6551084247886231 | 86.83402513219991 |  |  |  | 281124
281145 | 216493 | 97 | 281145 | 85:1696.0 86:5228.0 87:710.0 88:6689.0 91:14115.0 92:1134.0 93:3124.0 94:617.0 95:17134.0 96:21951.0 97:1046856.0 98:76482.0 99:5909.0 100:1503.0 101:3272.0 102:1013.0 103:4775.0 104:1151.0 105:16924.0 106:1507.0 107:3967.0 108:568.0 109:3083.0 110:1927.0 |  |  |  | 739949 | 708459 | 971358 | 1051191 | 1022367 | 664943 | 1002352 | 1063142 | 810411 | 966013 | 822779 | 1129366 | 818102 | 995662 | 1009087 | 828999 | 991225 | 746716 | 864233 | 974345 | 795413 | 1078951 | 806230 | 896023 | 935144 | 976792 | 830518 | 947141 | 702165 | 909811 | 542105 | 776306 | 776459 | 1176995 | 1095172 | 819072 | 814919 | 1141436 | 879974 | 856841 | 989040 | 684034 | 528022 | 886959.5813953489 | 23277.62127513003 | 905358 | 1081768 | 1012736 | 1198825 | 1227673 | 885562 | 1160488 | 946543 | 1188123 | 982613 | 721932 | 952559 | 1022015 | 44238.58433282792 | -135055.4186046511 | 0.00909605150551264 | 86.78537804194154 |  |  | *** | 281145
202599 | 570779 | 173 | 202599 | 85:105.0 86:55.0 87:119.0 88:30.0 89:3.0 90:610.0 91:2.0 92:22.0 93:1.0 94:4.0 95:1.0 96:11.0 97:8.0 98:9.0 99:5.0 100:167.0 101:6.0 102:100.0 103:14.0 105:7.0 106:5.0 107:14.0 109:2.0 110:8.0 112:21.0 113:38.0 114:29.0 115:197.0 116:347.0 117:27.0 118:4. |  |  |  | 3707 | 6950 | 7395 | 6528 | 6692 | 5085 | 6835 | 13485 | 9338 | 6190 | 8383 | 12657 | 7550 | 8424 | 8904 | 9088 | 11506 | 7600 | 11475 | 12993 | 9091 | 8165 | 6038 | 8787 | 9766 | 6791 | 8191 | 11642 | 7611 | 9624 | 5501 | 5801 | 14599 | 6831 | 17162 | 4799 | 7284 | 8619 | 6356 | 10919 | 14425 | 14153 | 3952 | 8764.93023255814 | 471.4914713176721 | 12711 | 14423 | 7484 | 5590 | 16192 | 7644 | 6362 | 9050 | 6244 | 13603 | 9796 | 12181 | 10106.66666666667 | 1038.905815235093 | -1341.736434108527 | 0.2051343617161417 | 86.72424372583912 |  |  |  | 202599
219174 | 506055 | 173 | 219174 | 85:60.0 86:200.0 87:23.0 88:83.0 89:12.0 90:67.0 91:140.0 92:98.0 93:66.0 95:83.0 99:2302.0 100:1266.0 101:242.0 102:139.0 103:1464.0 104:194.0 105:336.0 107:146.0 109:32.0 110:271.0 113:41.0 114:246.0 115:995.0 116:352.0 117:846.0 118:306.0 119:274.0 120 |  |  |  | 7772 | 8230 | 6336 | 9371 | 3669 | 7833 | 6311 | 13018 | 11023 | 6088 | 14333 | 3074 | 10855 | 5475 | 2457 | 7107 | 1658 | 12618 | 11139 | 2725 | 7452 | 4464 | 15183 | 10110 | 2947 | 5717 | 12328 | 3302 | 3448 | 1979 | 6418 | 8521 | 9887 | 2965 | 3917 | 7130 | 11668 | 3239 | 9260 | 11065 | 5583 | 19149 | 4228 | 7466.325581395349 | 622.450853504689 | 8433 | 8090 | 8702 | 6907 | 2212 | 7454 | 6480 | 9931 | 13204 | 7921 | 12178 | 11801 | 8609.416666666666 | 853.9380296365749 | -1143.091085271317 | 0.37036793766859 | 86.72278123444697 |  |  |  | 219174
223905 | 257174 | 248 | 223905 | 85:312.0 87:11607.0 88:452.0 89:67.0 90:9.0 91:7.0 92:2.0 93:254.0 97:226.0 98:168.0 99:25.0 100:5648.0 101:2671.0 102:1089.0 103:9.0 105:19.0 107:921.0 108:113.0 109:243.0 110:485.0 111:4.0 113:17.0 114:1164.0 115:1848.0 116:39.0 117:188.0 118:100.0 119: |  |  |  | 6661 | 7368 | 8323 | 8878 | 8555 | 7293 | 8728 | 9898 | 7823 | 8549 | 9166 | 9124 | 7552 | 6638 | 8030 | 7664 | 7687 | 7435 | 8057 | 8000 | 6988 | 8424 | 8807 | 8734 | 7156 | 8008 | 7996 | 7951 | 6249 | 7041 | 5762 | 7216 | 7100 | 9324 | 8927 | 7204 | 8038 | 9222 | 6639 | 8764 | 8330 | 8704 | 4706 | 7877.186046511628 | 157.963630589263 | 8554 | 9880 | 8132 | 10495 | 9281 | 8233 | 7177 | 9461 | 11483 | 10233 | 7112 | 9099 | 9095 | 382.5402335742351 | -1217.813953488372 | 0.001348846083473445 | 86.61007197923725 |  |  | *** | 223905
281119 | 883595 | 359 | 281119 | 90:46.0 101:19.0 103:2421.0 104:87.0 114:50.0 115:131.0 116:547.0 117:413.0 128:48.0 130:180.0 144:458.0 147:177.0 158:143.0 159:12.0 160:46.0 168:18.0 170:9.0 172:13.0 173:29.0 174:185.0 178:15.0 179:7.0 184:70.0 186:610.0 187:87.0 200:144.0 207:385.0 20 |  |  |  | 1128 | 1267 | 1167 | 1304 | 1084 | 1064 | 880 | 1625 | 1311 | 818 | 2037 | 679 | 1394 | 1149 | 832 | 1184 | 716 | 1677 | 1270 | 742 | 822 | 1007 | 1000 | 1919 | 972 | 1163 | 1513 | 935 | 1321 | 364 | 1745 | 1418 | 1844 | 709 | 994 | 1591 | 1274 | 922 | 936 | 1319 | 1177 | 2043 | 908 | 1191.255813953488 | 58.33993722805383 | 1467 | 1520 | 2436 | 1392 | 676 | 1783 | 640 | 1333 | 1144 | 1082 | 1550 | 1485 | 1375.666666666667 | 138.5663244176819 | -184.4108527131784 | 0.1686405396480194 | 86.59480111123007 |  |  |  | 281119
268590 | 282017 | 140 | 268590 | 85:2410.0 86:7035.0 87:437.0 88:233.0 89:408.0 90:1646.0 91:961.0 93:61.0 95:41.0 97:78.0 99:84.0 100:376.0 101:227.0 102:67.0 103:998.0 104:410.0 105:223.0 106:46.0 107:248.0 108:227.0 109:205.0 110:811.0 112:155.0 115:8.0 116:654.0 117:1791.0 118:401.0 |  |  |  | 7042 | 6321 | 9929 | 8770 | 11808 | 9319 | 10681 | 10642 | 5719 | 10389 | 8905 | 9102 | 10021 | 8420 | 7433 | 6155 | 6525 | 7091 | 5182 | 6265 | 8683 | 8384 | 7488 | 10165 | 6155 | 7186 | 8092 | 7931 | 7169 | 7059 | 5098 | 9609 | 6528 | 6937 | 9595 | 9358 | 7914 | 10845 | 9395 | 7315 | 10461 | 8784 | 4640 | 8151.395348837209 | 269.0670381696452 | 5860 | 9387 | 9463 | 10564 | 8785 | 6609 | 10741 | 12662 | 10186 | 13997 | 7405 | 7476 | 9427.916666666666 | 695.8759409020134 | -1276.521317829457 | 0.04633273760779818 | 86.46019727409424 |  |  | *** | 268590
281346 | 429630 | 218 | 281346 | 86:1920.0 87:55.0 88:45.0 90:51.0 100:2356.0 101:509.0 102:303.0 103:711.0 107:602.0 112:224.0 114:203.0 115:176.0 116:487.0 117:15.0 118:87.0 120:499.0 127:305.0 131:567.0 132:64.0 137:528.0 138:124.0 140:217.0 142:220.0 143:107.0 144:772.0 146:469.0 147 |  |  |  | 3997 | 4254 | 4360 | 4825 | 2929 | 4119 | 3186 | 4631 | 4457 | 3219 | 5533 | 2177 | 4603 | 3368 | 1433 | 3706 | 1204 | 4749 | 4196 | 1841 | 3297 | 2358 | 5423 | 5278 | 1332 | 2806 | 5057 | 2354 | 2840 | 1399 | 4007 | 4375 | 5195 | 1057 | 2570 | 4017 | 4822 | 1628 | 3580 | 4565 | 3578 | 6822 | 2084 | 3563.511627906977 | 210.6379393588308 | 5111 | 4378 | 4611 | 2502 | 999 | 3902 | 3012 | 4785 | 5635 | 5357 | 4278 | 4920 | 4124.166666666667 | 387.8442133619939 | -560.6550387596903 | 0.2166870906290866 | 86.4056163566048 |  |  |  | 281346
221574 | 354121 | 85 | 221574 | 85:4005.0 86:527.0 87:52.0 88:73.0 89:56.0 90:4.0 91:162.0 92:36.0 93:46.0 95:8.0 98:96.0 99:634.0 100:747.0 102:133.0 103:241.0 104:277.0 105:19.0 106:119.0 108:112.0 109:52.0 111:82.0 112:112.0 113:356.0 114:14.0 118:33.0 119:31.0 125:8.0 126:118.0 127: |  |  |  | 7533 | 8337 | 9316 | 9694 | 10902 | 7998 | 10390 | 10368 | 7188 | 10042 | 7591 | 11915 | 7894 | 16359 | 9598 | 8119 | 9685 | 7617 | 7413 | 8344 | 7383 | 8250 | 8105 | 8987 | 9166 | 9396 | 8928 | 7380 | 9227 | 7760 | 7660 | 7580 | 6467 | 9776 | 10428 | 9506 | 7813 | 10793 | 9095 | 8498 | 8303 | 9052 | 5470 | 8868.046511627907 | 265.0613772785339 | 9011 | 9582 | 11266 | 12674 | 11231 | 8759 | 8486 | 10769 | 10431 | 14340 | 7637 | 9046 | 10269.33333333333 | 553.8408360866616 | -1401.286821705427 | 0.01920556192649789 | 86.35464663361373 |  |  | *** | 221574
tyrosine | 671085 | 218 | 199781 | 86:146.0 89:83.0 90:81.0 91:229.0 92:32.0 93:14.0 95:8.0 96:2.0 98:21.0 100:3165.0 101:377.0 102:131.0 103:136.0 104:22.0 105:89.0 106:1.0 107:9.0 108:3.0 112:1.0 115:43.0 116:34.0 117:116.0 118:57.0 119:49.0 121:13.0 122:1.0 123:2.0 125:4.0 128:3.0 129:3 | 6057 | C00082 |  | 138358 | 181405 | 217624 | 154009 | 201650 | 166120 | 104758 | 181972 | 193308 | 172436 | 142617 | 197337 | 132784 | 172052 | 143656 | 226082 | 233151 | 164134 | 126998 | 196811 | 187764 | 147153 | 117495 | 210101 | 194113 | 154228 | 125425 | 195817 | 158574 | 132521 | 105907 | 147010 | 168766 | 192824 | 175114 | 128510 | 171096 | 237048 | 147741 | 135190 | 236057 | 215069 | 101815 | 168200 | 5626.483938233382 | 228509 | 179881 | 223131 | 158072 | 202604 | 269123 | 122797 | 305374 | 108843 | 199458 | 186466 | 155217 | 194956.25 | 16411.51579851551 | -26756.25 | 0.05534382049905632 | 86.27576699900618 |  |  |  | tyrosine
227365 | 405467 | 114 | 227365 | 85:2.0 86:209.0 87:293.0 88:739.0 89:175.0 90:111.0 93:30.0 94:791.0 95:105.0 96:92.0 97:364.0 98:918.0 99:72.0 100:647.0 103:7951.0 104:441.0 105:23.0 108:455.0 110:251.0 114:12898.0 115:752.0 116:272.0 117:534.0 118:498.0 121:6.0 124:1098.0 125:26.0 126 |  |  |  | 6719 | 13807 | 6272 | 10532 | 3099 | 10239 | 5768 | 10828 | 14266 | 5635 | 23180 | 3977 | 15825 | 4638 | 2814 | 9380 | 2329 | 13491 | 11793 | 3496 | 7874 | 5007 | 9637 | 17020 | 3218 | 7282 | 12681 | 3456 | 2924 | 2341 | 4292 | 8989 | 14973 | 2808 | 4245 | 5297 | 13545 | 2934 | 9264 | 14440 | 6020 | 25432 | 5056 | 8530.767441860466 | 851.3075571447945 | 12747 | 17128 | 5999 | 6294 | 2026 | 7179 | 6439 | 11706 | 15879 | 7069 | 13527 | 12827 | 9901.666666666666 | 1344.742091603179 | -1370.8992248062 | 0.4405677543740665 | 86.1548639137566 |  |  |  | 227365
226908 | 737073 | 213 | 226908 | 85:330.0 86:84.0 89:208.0 91:77.0 93:195.0 94:25.0 95:214.0 97:180.0 98:544.0 99:262.0 100:215.0 101:104.0 102:64.0 103:1006.0 104:184.0 105:325.0 107:59.0 108:65.0 109:38.0 110:48.0 111:289.0 112:185.0 113:159.0 114:58.0 115:224.0 116:153.0 117:1298.0 11 |  |  |  | 3479 | 3031 | 4003 | 3691 | 4338 | 2529 | 3658 | 2767 | 3672 | 2839 | 5267 | 4762 | 10593 | 3324 | 2240 | 2572 | 2540 | 2928 | 2557 | 3051 | 1870 | 2063 | 2825 | 3319 | 4571 | 5053 | 3406 | 4417 | 1836 | 1929 | 2809 | 5675 | 5397 | 2180 | 1696 | 6439 | 2598 | 2413 | 3532 | 3169 | 2737 | 8397 | 1484 | 3573.395348837209 | 269.1470534246071 | 3582 | 2825 | 8811 | 2533 | 1938 | 2719 | 4694 | 5847 | 4071 | 5377 | 4028 | 3380 | 4150.416666666667 | 541.1397967916582 | -577.0213178294575 | 0.3274694827383701 | 86.09726771618614 |  |  |  | 226908
224526 | 334987 | 234 | 224526 | 85:79.0 86:3699.0 87:2020.0 88:4215.0 89:685.0 90:144.0 91:722.0 96:43.0 97:35.0 98:65.0 99:85.0 101:1.0 102:1453.0 103:9594.0 104:421.0 105:282.0 107:15777.0 109:68.0 110:2342.0 112:81.0 113:1648.0 114:16.0 116:2703.0 117:2854.0 118:273.0 119:6261.0 120: |  |  |  | 7491 | 11846 | 6004 | 8670 | 3808 | 8471 | 5991 | 10340 | 11424 | 5859 | 15445 | 4813 | 12052 | 5276 | 3553 | 8014 | 3116 | 11896 | 10448 | 4238 | 7332 | 5451 | 10323 | 11943 | 3884 | 6618 | 11709 | 4568 | 3492 | 2945 | 4998 | 8430 | 12450 | 3696 | 5370 | 5843 | 10368 | 4172 | 8463 | 11651 | 6069 | 20732 | 4676 | 7766 | 584.5225176530079 | 10765 | 11438 | 6527 | 6775 | 3389 | 7585 | 5994 | 9701 | 14797 | 8446 | 11239 | 11732 | 9032.333333333334 | 910.85595219912 | -1266.333333333334 | 0.2995804880568566 | 85.97999778573273 |  |  |  | 224526
215490 | 315917 | 130 | 215490 | 85:33.0 86:263.0 87:100.0 88:6.0 89:452.0 90:6.0 91:239.0 92:18.0 93:147.0 94:30.0 95:182.0 97:266.0 98:155.0 99:60.0 100:234.0 102:38.0 106:10.0 107:90.0 109:34.0 110:1.0 112:1.0 114:10.0 116:146.0 117:144.0 118:6.0 123:101.0 124:3.0 125:5.0 126:49.0 128 |  |  |  | 199104 | 267294 | 219301 | 256959 | 206498 | 225835 | 199647 | 324663 | 233073 | 202198 | 333506 | 185448 | 238042 | 183512 | 165635 | 184614 | 149806 | 257161 | 241743 | 164246 | 187866 | 176799 | 301027 | 311529 | 159306 | 175625 | 277043 | 175614 | 165051 | 140396 | 197153 | 219184 | 259967 | 176170 | 182310 | 234485 | 264426 | 184509 | 167548 | 261704 | 207589 | 372116 | 123280 | 217650.7441860465 | 8478.52177352349 | 292066 | 287003 | 276861 | 220731 | 178985 | 205128 | 181160 | 269388 | 344895 | 281850 | 253280 | 251282 | 253552.4166666667 | 14240.59346070257 | -35901.67248062015 | 0.04812390039813886 | 85.84053232361087 |  |  | *** | 215490
242405 | 291859 | 139 | 242405 | 85:2067.0 86:3612.0 88:122.0 89:3952.0 90:1695.0 91:38.0 92:5259.0 93:2320.0 94:691.0 97:13059.0 98:15291.0 99:1102.0 101:622.0 104:225.0 106:17311.0 107:8102.0 108:440.0 109:1040.0 110:2115.0 113:1746.0 114:3698.0 115:38.0 126:96232.0 127:62161.0 128:250 |  |  |  | 23955 | 30724 | 32452 | 36232 | 17277 | 23587 | 18442 | 38959 | 22874 | 22729 | 39689 | 32805 | 45300 | 37468 | 25060 | 28695 | 18746 | 22964 | 22675 | 21872 | 20898 | 24378 | 38813 | 27329 | 19360 | 18877 | 35938 | 19648 | 14995 | 21366 | 20415 | 30878 | 17451 | 28795 | 19664 | 33767 | 30915 | 19122 | 32274 | 27498 | 18481 | 42362 | 18082 | 26600.25581395349 | 1206.306792496169 | 38966 | 30731 | 40410 | 29481 | 16873 | 24597 | 17864 | 42375 | 38770 | 39585 | 28119 | 24483 | 31021.16666666667 | 2584.542975346732 | -4420.910852713179 | 0.1020153266954974 | 85.74872795656778 |  |  |  | 242405
[NAME] | 547810 | 117 | 201826 | 85:88.0 89:61.0 90:2.0 91:4.0 95:22.0 96:4.0 97:61.0 98:44.0 99:58.0 100:11.0 101:28.0 102:4.0 106:3.0 107:5.0 109:1.0 110:5.0 111:1.0 113:3.0 116:86.0 117:1390.0 118:117.0 119:31.0 121:3.0 127:4.0 129:590.0 130:69.0 131:269.0 132:366.0 133:68.0 143:11.0 | 3893 | C02679 |  | 9311 | 11033 | 10717 | 6919 | 13638 | 12062 | 18689 | 13338 | 7543 | 13898 | 14687 | 14145 | 11990 | 12368 | 11683 | 9584 | 10761 | 7654 | 7680 | 13282 | 12930 | 13019 | 16306 | 19785 | 10430 | 8952 | 10509 | 11385 | 9504 | 10479 | 10690 | 9494 | 29619 | 19837 | 9502 | 10804 | 7146 | 12743 | 9754 | 7131 | 9154 | 16465 | 6814 | 11940.32558139535 | 651.2813077953671 | 10278 | 10387 | 42482 | 11187 | 14192 | 8419 | 10349 | 13672 | 13208 | 11081 | 13062 | 9410 | 13977.25 | 2642.536250503912 | -2036.924418604651 | 0.2738958848149438 | 85.42685851219196 |  |  |  | [NAME]
226910 | 793299 | 173 | 226910 | 85:1606.0 86:531.0 87:21.0 88:462.0 89:1113.0 90:16.0 95:73.0 98:180.0 99:172.0 100:792.0 101:237.0 102:959.0 103:5025.0 104:375.0 105:101.0 111:94.0 112:210.0 113:325.0 114:233.0 115:79.0 116:1191.0 117:2346.0 118:149.0 125:74.0 128:157.0 129:744.0 130:8 |  |  |  | 11129 | 15106 | 7793 | 12108 | 3938 | 7688 | 6381 | 9632 | 16990 | 6898 | 12007 | 5809 | 16014 | 5763 | 4446 | 9933 | 4535 | 15571 | 13313 | 5925 | 9208 | 7936 | 20959 | 4498 | 5692 | 11829 | 13426 | 9102 | 3230 | 3593 | 5813 | 9693 | 14566 | 3680 | 7261 | 5501 | 11785 | 5728 | 11140 | 13557 | 6937 | 24020 | 5010 | 9421.93023255814 | 736.6857889978262 | 12520 | 14163 | 8335 | 9368 | 1983 | 9305 | 7465 | 8011 | 27323 | 8880 | 9138 | 16925 | 11118 | 1819.570770230932 | -1696.069767441861 | 0.3196288743705045 | 84.74483029823836 |  |  |  | 226910
228885 | 250227 | 85 | 228885 | 85:1605677.0 86:112946.0 87:371.0 89:45.0 91:31372.0 92:3864.0 93:17292.0 94:4162.0 95:74078.0 96:12936.0 97:54720.0 98:6557.0 99:1241.0 102:530.0 103:486.0 105:2586.0 109:18132.0 110:2550.0 111:6952.0 112:624.0 114:801.0 115:2131.0 116:18093.0 117:1346.0 |  |  |  | 186812 | 188583 | 253426 | 278717 | 267719 | 222374 | 278422 | 306494 | 234595 | 287178 | 249545 | 258828 | 225990 | 240048 | 243004 | 218640 | 231903 | 202788 | 244843 | 250338 | 211732 | 297547 | 217169 | 272506 | 218670 | 267581 | 209825 | 218049 | 183424 | 210943 | 166698 | 203085 | 213913 | 270269 | 300779 | 201984 | 227002 | 274423 | 254501 | 251789 | 285362 | 194215 | 122994 | 235923.4186046512 | 5939.81155456052 | 252580 | 306911 | 265909 | 353904 | 285371 | 243673 | 253833 | 301265 | 323561 | 311509 | 181465 | 265514 | 278791.25 | 13030.75086973758 | -42867.83139534883 | 0.001966133088817512 | 84.62368119682779 |  |  | *** | 228885
224522 | 279422 | 174 | 224522 | 85:2566.0 86:86423.0 87:7800.0 88:2605.0 89:19.0 90:528.0 91:259.0 92:22.0 93:397.0 94:275.0 95:176.0 97:27.0 98:2378.0 99:1783.0 100:42911.0 101:6456.0 102:5953.0 103:1216.0 104:489.0 106:23.0 107:3228.0 109:188.0 112:367.0 113:1943.0 114:1892.0 115:1528 |  |  |  | 324420 | 324597 | 428469 | 447170 | 451426 | 383966 | 397044 | 450753 | 350204 | 424713 | 395416 | 338135 | 380216 | 348749 | 264401 | 366739 | 190479 | 351856 | 366402 | 289530 | 356013 | 391120 | 348236 | 420057 | 280660 | 341290 | 370157 | 299280 | 332030 | 230206 | 303039 | 362525 | 317830 | 258155 | 405178 | 382480 | 372248 | 309618 | 295907 | 396628 | 419975 | 357852 | 232512 | 350178.6279069767 | 9338.010494155153 | 399727 | 451995 | 424676 | 452913 | 242506 | 415844 | 358225 | 481234 | 480324 | 532867 | 326506 | 403770 | 414215.5833333333 | 22463.42527965902 | -64036.95542635658 | 0.003921917364192296 | 84.54018680054732 |  |  | *** | 224522
281268 | 448141 | 174 | 281268 | 96:8.0 98:8.0 100:201.0 101:307.0 102:175.0 103:6854.0 104:185.0 110:187.0 111:1.0 114:211.0 116:2095.0 117:192.0 121:2.0 122:1.0 123:4.0 124:1070.0 129:383.0 131:22.0 142:4.0 143:2.0 144:55.0 146:3197.0 147:1928.0 148:206.0 158:126.0 160:521.0 168:7.0 16 |  |  |  | 7971 | 1878 | 7063 | 8504 | 7296 | 6828 | 6390 | 3413 | 3150 | 6637 | 1448 | 12737 | 4651 | 3385 | 10451 | 8114 | 7812 | 4887 | 6272 | 8675 | 5391 | 5497 | 3272 | 4561 | 11041 | 7826 | 3069 | 12470 | 4566 | 7815 | 3446 | 3798 | 6694 | 11106 | 2091 | 4358 | 3987 | 9395 | 2350 | 2483 | 7780 | 2437 | 3847 | 5973.069767441861 | 452.0993682306348 | 4228 | 5972 | 4381 | 8361 | 15707 | 7954 | 7431 | 4240 | 6355 | 11539 | 3358 | 5279 | 7067.083333333333 | 1026.793054437657 | -1094.013565891472 | 0.2841341467929874 | 84.51958871446534 |  |  |  | 281268
229203 | 840930 | 94 | 229203 | 85:907.0 86:187.0 89:405.0 90:171.0 91:10198.0 92:2222.0 93:10321.0 94:6866.0 95:6339.0 96:1308.0 97:789.0 98:613.0 99:273.0 105:3212.0 106:1536.0 107:3759.0 108:1708.0 109:1648.0 110:339.0 111:309.0 112:180.0 116:1065.0 117:5315.0 118:692.0 119:1575.0 12 |  |  |  | 4364 | 5081 | 5857 | 1714 | 5128 | 1532 | 1488 | 2141 | 1678 | 3201 | 2028 | 1651 | 5666 | 1992 | 3060 | 1697 | 2209 | 1224 | 3152 | 2107 | 1301 | 4235 | 1345 | 2658 | 4406 | 6149 | 6615 | 3400 | 6594 | 1545 | 5949 | 2027 | 1884 | 1633 | 1583 | 1934 | 6993 | 3534 | 1232 | 6344 | 4233 | 4468 | 1458 | 3220.697674418604 | 280.9112712976535 | 2217 | 1553 | 2384 | 4844 | 3692 | 2000 | 5457 | 2989 | 8044 | 3705 | 2718 | 6143 | 3812.166666666667 | 563.9691700327907 | -591.468992248062 | 0.3359602592987539 | 84.4847026909965 |  |  |  | 229203
211898 | 413647 | 270 | 211898 | 85:1790.0 86:1860.0 87:504.0 88:2001.0 89:389.0 90:198.0 91:353.0 92:114.0 93:18.0 94:67.0 95:48.0 96:189.0 97:171.0 98:249.0 100:5136.0 101:1135.0 102:5186.0 103:795.0 104:529.0 105:137.0 106:109.0 107:197.0 108:501.0 109:42.0 110:2645.0 111:265.0 112:10 |  |  |  | 45341 | 43637 | 45030 | 54301 | 43949 | 46414 | 43025 | 50390 | 49105 | 42655 | 58295 | 42925 | 51064 | 41685 | 38891 | 44968 | 34936 | 45690 | 38421 | 38118 | 40726 | 41196 | 26845 | 45414 | 39499 | 39511 | 46585 | 43489 | 36504 | 32486 | 39419 | 44460 | 36431 | 41695 | 41366 | 45766 | 32423 | 40301 | 45485 | 47283 | 45672 | 56455 | 28287 | 42700.88372093023 | 987.4378179445494 | 71260 | 51243 | 57120 | 49560 | 39295 | 46008 | 40205 | 56629 | 57260 | 55842 | 36516 | 47076 | 50667.83333333334 | 2815.934076775854 | -7966.949612403107 | 0.001482294361025927 | 84.27611940698121 |  |  | *** | 211898
225272 | 416106 | 182 | 225272 | 85:452.0 86:378.0 88:79.0 89:293.0 90:142.0 92:397.0 93:443.0 94:357.0 95:125.0 98:176.0 99:439.0 100:2670.0 101:554.0 102:2228.0 103:640.0 104:218.0 105:201.0 106:324.0 107:1675.0 108:685.0 110:803.0 111:152.0 112:356.0 113:995.0 114:401.0 116:677.0 117: |  |  |  | 1239 | 2991 | 2533 | 2157 | 1211 | 1109 | 819 | 2984 | 1854 | 1691 | 1969 | 156 | 5398 | 1821 | 1575 | 940 | 1231 | 2590 | 1617 | 442 | 2915 | 1799 | 4019 | 3606 | 1885 | 2156 | 4415 | 476 | 822 | 503 | 1639 | 4083 | 2856 | 1106 | 1574 | 2867 | 2023 | 488 | 261 | 1433 | 1005 | 3858 | 469 | 1920.581395348837 | 188.2475580576873 | 1841 | 1375 | 1495 | 2399 | 1396 | 1483 | 2374 | 3582 | 4631 | 1055 | 3997 | 1731 | 2279.916666666667 | 337.5508145435142 | -359.3352713178292 | 0.3715179569500778 | 84.23910502644851 |  |  |  | 225272
223717 | 477769 | 155 | 223717 | 85:176.0 86:2376.0 89:341.0 91:121.0 96:113.0 99:158.0 100:1377.0 101:251.0 102:264.0 106:11.0 108:26.0 110:92.0 112:11.0 114:115.0 116:149.0 117:5.0 120:80.0 121:97.0 123:126.0 125:642.0 128:211.0 130:221.0 131:80.0 134:2.0 137:32.0 139:117.0 140:27.0 14 |  |  |  | 4651 | 27614 | 8197 | 9370 | 16080 | 9798 | 7475 | 10848 | 10470 | 25461 | 34827 | 2484 | 4420 | 6014 | 2721 | 3557 | 22960 | 41746 | 27270 | 37081 | 15460 | 2663 | 1543 | 7389 | 5917 | 22973 | 6420 | 15056 | 7096 | 139 | 1952 | 9833 | 15065 | 36966 | 7084 | 35453 | 3553 | 3200 | 8090 | 4675 | 16602 | 6612 | 2602 | 12776.44186046512 | 1746.818496810678 | 20060 | 11107 | 73698 | 6145 | 7190 | 7558 | 6937 | 11300 | 6720 | 19496 | 7570 | 4341 | 15176.83333333333 | 5516.451337690845 | -2400.391472868218 | 0.5857441804319846 | 84.18384507395119 |  |  |  | 223717
226848 | 827200 | 202 | 226848 | 85:655.0 86:957.0 87:144.0 88:381.0 89:150.0 91:189.0 92:40.0 97:855.0 98:426.0 99:428.0 100:701.0 101:847.0 102:547.0 103:8006.0 104:771.0 105:372.0 107:3.0 110:7.0 111:139.0 112:301.0 113:106.0 114:330.0 115:167.0 116:1925.0 117:1635.0 118:254.0 124:28. |  |  |  | 27753 | 30187 | 17704 | 28068 | 11784 | 15812 | 22629 | 20995 | 33593 | 15870 | 37599 | 20351 | 31208 | 22775 | 11254 | 24052 | 12380 | 32143 | 35504 | 14920 | 18588 | 16424 | 68743 | 19247 | 16264 | 23800 | 29849 | 17877 | 18506 | 9315 | 19269 | 22200 | 33787 | 10196 | 15221 | 15925 | 26316 | 13291 | 23267 | 31267 | 15383 | 57440 | 10122 | 23229.72093023256 | 1792.067544941282 | 40201 | 38918 | 31013 | 26292 | 9248 | 24159 | 17703 | 18167 | 36465 | 23191 | 28348 | 38248 | 27662.75 | 2817.329898941496 | -4433.029069767443 | 0.2375761460033059 | 83.97473472533483 |  |  |  | 226848
239882 | 682727 | 228 | 239882 | 85:873.0 86:260.0 88:9.0 89:595.0 90:8.0 91:11.0 93:1.0 95:23.0 96:13.0 97:93.0 98:779.0 99:450.0 101:310.0 103:39.0 105:10.0 106:10.0 108:58.0 109:1466.0 110:6500.0 111:928.0 112:190.0 113:202.0 114:46.0 115:17.0 117:103.0 118:9.0 119:18.0 120:11.0 122:3 |  |  |  | 3746 | 5202 | 1573 | 3205 | 1503 | 1803 | 1538 | 1859 | 6466 | 1187 | 2561 | 1486 | 2179 | 1256 | 1012 | 3478 | 1235 | 4322 | 5311 | 1706 | 2286 | 2195 | 4975 | 863 | 1675 | 3981 | 3830 | 2617 | 912 | 847 | 2542 | 1039 | 4752 | 899 | 1765 | 3022 | 3571 | 1121 | 3065 | 5111 | 1376 | 4082 | 1827 | 2580.953488372093 | 227.3459342354442 | 5027 | 3710 | 2171 | 2939 | 980 | 3331 | 1305 | 1121 | 6444 | 1950 | 2418 | 5559 | 3079.583333333333 | 519.8503347895509 | -498.6298449612405 | 0.3320799238416028 | 83.8085289148021 |  |  |  | 239882
238358 | 640923 | 239 | 238358 | 86:14.0 94:268.0 95:171.0 96:114.0 98:716.0 103:272.0 107:266.0 108:160.0 109:34.0 110:3.0 112:60.0 121:643.0 122:466.0 123:411.0 124:344.0 130:368.0 135:276.0 136:86.0 137:2.0 138:196.0 139:24.0 140:433.0 141:21.0 142:2.0 144:51.0 149:502.0 150:986.0 151 |  |  |  | 2964 | 3069 | 2706 | 3305 | 2213 | 3075 | 2166 | 3609 | 2725 | 2352 | 4411 | 1719 | 3145 | 2278 | 1360 | 2446 | 1038 | 3217 | 2391 | 1462 | 2436 | 2193 | 2771 | 4166 | 1630 | 1931 | 3344 | 1778 | 1711 | 1206 | 2626 | 2553 | 2270 | 1290 | 1958 | 2598 | 3095 | 1335 | 2568 | 2929 | 1019 | 4130 | 1556 | 2435.906976744186 | 128.2157728239175 | 2901 | 3672 | 3271 | 2549 | 1055 | 2596 | 1916 | 2915 | 3956 | 2656 | 3840 | 3618 | 2912.083333333333 | 244.5433734328106 | -476.1763565891474 | 0.0890870354081585 | 83.64825789363351 |  |  |  | 238358
281133 | 209890 | 120 | 281133 | 86:55024.0 87:8112.0 88:952.0 89:40990.0 90:7456.0 91:217557.0 92:26786.0 93:13081.0 94:848.0 95:14206.0 97:52998.0 98:3279.0 99:664.0 100:1550.0 101:1293.0 102:25032.0 103:139693.0 104:43516.0 105:1590172.0 106:134436.0 107:36829.0 108:3050.0 109:8817.0 |  |  |  | 362513 | 364823 | 539204 | 550018 | 529088 | 413764 | 577360 | 592822 | 435338 | 547138 | 485171 | 591725 | 453384 | 393548 | 534367 | 451120 | 528928 | 375866 | 483983 | 539510 | 445224 | 591143 | 436386 | 491796 | 472845 | 525907 | 432892 | 469584 | 349603 | 481080 | 303978 | 387363 | 374124 | 608799 | 593748 | 391831 | 443582 | 606038 | 445861 | 487051 | 546560 | 363804 | 249200 | 470885.3255813954 | 13383.47411298815 | 495409 | 578712 | 735715 | 671282 | 650344 | 505805 | 475208 | 573554 | 629155 | 564507 | 359887 | 530019 | 564133.0833333334 | 29102.21318056315 | -93247.75775193801 | 0.002670698549789804 | 83.47060994881592 |  |  | *** | 281133
monopalmitin-1-glyceride | 901207 | 371 | 202859 | 85:631.0 86:60.0 87:31.0 88:69.0 89:113.0 91:26.0 92:8.0 93:48.0 95:909.0 96:19.0 97:532.0 98:174.0 99:191.0 101:1315.0 102:107.0 103:1040.0 104:45.0 105:19.0 107:8.0 109:435.0 110:6.0 111:104.0 113:36.0 115:74.0 116:861.0 117:1193.0 118:74.0 121:4.0 123: | 14900 |  |  | 4127 | 1705 | 2522 | 2573 | 2728 | 1630 | 1806 | 1517 | 1821 | 2597 | 917 | 1455 | 1230 | 2322 | 3295 | 2424 | 1834 | 1013 | 5708 | 1597 | 1694 | 882 | 1904 | 2403 | 3791 | 3923 | 1259 | 1614 | 1897 | 1126 | 1879 | 1130 | 3971 | 3702 | 1529 | 2436 | 2903 | 1646 | 871 | 2437 | 1954 | 1459 | 2824 | 2187.325581395349 | 158.2094638886423 | 1579 | 1182 | 9959 | 1584 | 1774 | 2158 | 800 | 1367 | 1571 | 1627 | 6199 | 1697 | 2624.75 | 776.7680723726844 | -437.4244186046512 | 0.3866260016151405 | 83.33462544605577 |  |  |  | monopalmitin-1-glyceride
220169 | 304229 | 174 | 220169 | 85:107.0 86:883.0 87:153.0 89:165.0 90:281.0 91:83.0 92:12.0 94:23.0 95:33.0 98:98.0 99:59.0 100:489.0 101:121.0 102:168.0 104:10.0 107:567.0 108:64.0 109:135.0 110:396.0 111:122.0 112:11.0 113:100.0 114:243.0 116:3118.0 117:926.0 118:243.0 120:71.0 121:5 |  |  |  | 17608 | 17201 | 21942 | 23579 | 22495 | 19981 | 22063 | 24299 | 19023 | 22918 | 21471 | 17049 | 18878 | 17943 | 12580 | 18544 | 8836 | 18825 | 20361 | 14674 | 18219 | 19380 | 19504 | 21246 | 14038 | 18053 | 19298 | 15565 | 17042 | 11935 | 15773 | 18454 | 17679 | 12395 | 21137 | 20324 | 19691 | 15934 | 14883 | 22012 | 21573 | 20087 | 12449 | 18300.95348837209 | 527.4175251123802 | 21305 | 24510 | 22248 | 23451 | 11967 | 20826 | 19674 | 25441 | 26605 | 28852 | 17320 | 21454 | 21971.08333333333 | 1286.840631148531 | -3670.12984496124 | 0.003589399757578519 | 83.29563549835015 |  |  | *** | 220169
239873 | 732710 | 391 | 239873 | 87:162.0 88:87.0 91:7.0 93:117.0 94:136.0 95:64.0 97:82.0 98:501.0 99:130.0 100:935.0 101:149.0 102:97.0 108:82.0 109:264.0 110:198.0 111:198.0 113:32.0 115:325.0 117:799.0 118:32.0 119:37.0 124:9.0 126:148.0 128:74.0 129:256.0 131:1207.0 132:339.0 133:23 |  |  |  | 779 | 1432 | 544 | 901 | 240 | 655 | 625 | 1085 | 1489 | 549 | 2450 | 430 | 2231 | 403 | 233 | 836 | 300 | 1538 | 1231 | 243 | 662 | 350 | 1682 | 1641 | 282 | 563 | 1332 | 352 | 212 | 281 | 462 | 1089 | 2202 | 404 | 239 | 586 | 1071 | 304 | 1146 | 1441 | 552 | 4394 | 336 | 925.046511627907 | 122.9935306687545 | 1203 | 1324 | 767 | 392 | 255 | 711 | 579 | 1135 | 2650 | 977 | 1808 | 1531 | 1111 | 192.9466875653071 | -185.953488372093 | 0.4683966177544122 | 83.2625122977414 |  |  |  | 239873
lysine | 663816 | 156 | 200530 | 85:70.0 86:263.0 87:37.0 88:156.0 89:59.0 90:9.0 91:501.0 92:1739.0 93:88.0 94:6.0 95:10.0 96:3.0 97:9.0 99:103.0 100:324.0 101:240.0 102:98.0 103:267.0 104:33.0 105:28.0 106:3.0 107:27.0 108:6.0 110:21.0 111:2.0 112:67.0 113:21.0 114:28.0 115:192.0 116:3 | 5962 | C00047 |  | 158517 | 138098 | 200128 | 157829 | 154675 | 117322 | 192624 | 120696 | 180313 | 171896 | 151882 | 100846 | 141186 | 168326 | 87069 | 159014 | 52757 | 139198 | 173713 | 81868 | 141857 | 103743 | 113785 | 192127 | 145045 | 140322 | 183420 | 141982 | 177167 | 85506 | 163570 | 166453 | 118362 | 58206 | 138333 | 160979 | 133079 | 98501 | 124218 | 133676 | 166165 | 252939 | 102511 | 141625.6511627907 | 6008.417220809282 | 192937 | 227819 | 207994 | 156193 | 75292 | 170670 | 100304 | 198735 | 126609 | 213330 | 187310 | 188070 | 170438.5833333333 | 13635.05045965169 | -28812.93217054266 | 0.03657546520138468 | 83.0948300513669 |  |  | *** | lysine
223634 | 471218 | 140 | 223634 | 85:3523.0 86:4025.0 87:518.0 88:6746.0 89:576.0 90:660.0 92:41.0 93:163.0 94:1133.0 95:1326.0 96:4183.0 97:11291.0 98:11144.0 99:2506.0 100:979.0 101:382.0 104:150.0 106:31.0 107:494.0 108:284.0 109:175.0 110:2067.0 111:632.0 112:1232.0 113:862.0 114:1316 |  |  |  | 18111 | 15555 | 19684 | 21879 | 24067 | 19474 | 24776 | 26685 | 21982 | 22677 | 33936 | 21173 | 14178 | 11295 | 17368 | 21394 | 14071 | 1934 | 24483 | 21168 | 17825 | 23840 | 26913 | 33732 | 20325 | 22522 | 21637 | 20012 | 14431 | 16137 | 19012 | 15516 | 19893 | 17019 | 18929 | 12216 | 22585 | 17345 | 16269 | 27215 | 19574 | 27668 | 11955 | 19964.18604651163 | 888.4277708051332 | 22101 | 30968 | 28947 | 27600 | 11130 | 18904 | 21013 | 21792 | 27970 | 25418 | 34264 | 19572 | 24139.91666666667 | 1820.525163402256 | -4175.730620155038 | 0.03553559193995143 | 82.70196754274198 |  |  | *** | 223634
204344 | 246354 | 147 | 204344 | 86:308.0 87:101.0 88:30.0 89:47.0 90:3.0 91:6.0 92:4.0 94:7.0 99:46.0 100:172.0 101:45.0 102:40.0 103:28.0 105:5.0 108:4.0 110:8.0 113:22.0 114:3.0 115:74.0 117:193.0 118:2.0 119:41.0 125:24.0 128:183.0 129:12.0 130:40.0 131:202.0 132:62.0 133:110.0 134:1 |  |  |  | 337655 | 595404 | 502711 | 535633 | 554056 | 474051 | 386557 | 704869 | 558496 | 387318 | 545435 | 449791 | 485441 | 449947 | 417155 | 417754 | 385708 | 677557 | 475619 | 378337 | 416287 | 422331 | 593687 | 695183 | 339274 | 402479 | 578832 | 500433 | 525080 | 342205 | 356777 | 476421 | 467774 | 453284 | 431019 | 495388 | 616577 | 545647 | 388621 | 479950 | 478925 | 646288 | 262597 | 479873.3255813954 | 15565.07064417158 | 642157 | 603674 | 594828 | 560825 | 457151 | 499954 | 479387 | 631896 | 762909 | 702859 | 466375 | 563815 | 580485.8333333334 | 27667.76776373144 | -100612.507751938 | 0.003498029996126036 | 82.6675343351294 |  |  | *** | 204344
239593 | 614313 | 269 | 239593 | 85:6500.0 86:21.0 96:73.0 97:3466.0 98:1467.0 99:1661.0 106:6.0 107:414.0 108:1.0 110:2293.0 111:328.0 112:118.0 113:1538.0 122:143.0 124:944.0 127:886.0 128:258.0 130:741.0 131:135.0 136:98.0 138:31.0 140:222.0 141:109.0 149:14.0 153:22.0 154:152.0 155:3 |  |  |  | 1685 | 2156 | 2758 | 2892 | 1513 | 1761 | 1097 | 4032 | 1425 | 1837 | 2973 | 2295 | 4886 | 3063 | 1397 | 1838 | 1411 | 2093 | 1596 | 1270 | 1998 | 1740 | 2420 | 2453 | 1265 | 917 | 2118 | 1789 | 1252 | 1433 | 1252 | 4083 | 1559 | 1647 | 1589 | 4851 | 1994 | 1341 | 2485 | 2028 | 2419 | 4540 | 1409 | 2152.558139534884 | 153.0174908115727 | 2860 | 2523 | 3262 | 1769 | 1186 | 1770 | 1882 | 3441 | 3131 | 4848 | 2586 | 2008 | 2605.5 | 286.0281428196332 | -452.9418604651164 | 0.1714806155471391 | 82.61593320034095 |  |  |  | 239593
223578 | 397473 | 272 | 223578 | 85:14.0 86:165.0 91:34.0 92:8.0 96:151.0 100:85.0 101:242.0 102:522.0 103:472.0 105:48.0 106:157.0 107:246.0 109:15.0 110:1584.0 114:55.0 116:133.0 118:333.0 122:10.0 124:17.0 126:16.0 129:237.0 132:192.0 134:538.0 135:13.0 137:8.0 138:10.0 139:59.0 140:1 |  |  |  | 967 | 1797 | 816 | 1066 | 631 | 890 | 596 | 2081 | 1224 | 463 | 2080 | 594 | 1041 | 823 | 373 | 578 | 366 | 1685 | 1232 | 533 | 872 | 581 | 2864 | 1807 | 343 | 496 | 1536 | 608 | 419 | 489 | 712 | 1166 | 1586 | 643 | 608 | 883 | 1230 | 479 | 925 | 1243 | 559 | 2799 | 463 | 1003.418604651163 | 95.49980566537391 | 1404 | 1540 | 1054 | 767 | 593 | 851 | 440 | 1178 | 2432 | 958 | 1812 | 1577 | 1217.166666666667 | 163.3892838616048 | -213.7480620155039 | 0.2912932807807863 | 82.43888303309566 |  |  |  | 223578
281249 | 692691 | 261 | 281249 | 85:56.0 86:57.0 88:5.0 89:413.0 90:59.0 91:58.0 93:1.0 94:27.0 95:44.0 96:11.0 98:81.0 99:335.0 100:821.0 101:96.0 102:1455.0 103:77.0 104:252.0 106:6.0 107:88.0 110:92.0 111:54.0 112:20.0 113:302.0 116:198.0 117:167.0 119:1.0 121:4.0 122:18.0 124:25.0 12 |  |  |  | 1391 | 1769 | 1149 | 1476 | 437 | 1435 | 1000 | 1481 | 1688 | 1174 | 2594 | 494 | 2222 | 538 | 495 | 1246 | 384 | 2069 | 1096 | 454 | 1153 | 742 | 2330 | 1770 | 400 | 1247 | 1959 | 703 | 362 | 406 | 666 | 1559 | 1499 | 368 | 620 | 762 | 1709 | 581 | 1058 | 1679 | 717 | 4365 | 635 | 1206.558139534884 | 119.1551065910192 | 1071 | 1758 | 1313 | 1068 | 323 | 1013 | 1251 | 1338 | 3380 | 1465 | 1798 | 1805 | 1465.25 | 211.1638788053516 | -258.6918604651162 | 0.3089196974573658 | 82.34486534959112 |  |  |  | 281249
213733 | 597844 | 271 | 213733 | 85:1048.0 86:241.0 87:194.0 88:98.0 89:3695.0 90:352.0 91:92.0 92:2.0 95:98.0 96:30.0 97:2321.0 98:157.0 99:438.0 101:3686.0 102:538.0 103:4688.0 104:597.0 110:1.0 111:828.0 112:31.0 113:1061.0 114:153.0 115:185.0 116:346.0 117:1230.0 118:172.0 119:45.0 1 |  |  |  | 2433 | 3436 | 2330 | 2697 | 2684 | 1409 | 2139 | 2807 | 2712 | 1960 | 1556 | 2563 | 2097 | 3220 | 1687 | 2463 | 1746 | 2696 | 2706 | 1313 | 1850 | 2443 | 2217 | 2085 | 1824 | 2807 | 3917 | 1594 | 2288 | 1367 | 2812 | 1690 | 4721 | 2051 | 2643 | 3736 | 2465 | 2454 | 2413 | 3876 | 1788 | 2734 | 1660 | 2420.674418604651 | 112.2453249805496 | 3554 | 2235 | 4696 | 2587 | 3205 | 3306 | 1822 | 2887 | 3445 | 2710 | 2215 | 2741 | 2950.25 | 220.3813885957568 | -529.5755813953488 | 0.03320354041211916 | 82.04980657926112 |  |  | *** | 213733
226842 | 544485 | 171 | 226842 | 85:115.0 86:250.0 87:101.0 88:258.0 91:47.0 93:1.0 95:10.0 96:25.0 97:268.0 98:27.0 99:156.0 100:627.0 101:836.0 102:379.0 107:476.0 108:6.0 109:22.0 111:143.0 113:39.0 114:41.0 115:2.0 116:507.0 117:2089.0 118:188.0 122:2.0 123:1.0 125:82.0 128:95.0 129: |  |  |  | 40028 | 79212 | 24740 | 42420 | 8156 | 34734 | 19541 | 59811 | 73903 | 19320 | 95903 | 11538 | 70361 | 18427 | 6650 | 38417 | 2445 | 73370 | 59998 | 10074 | 31896 | 18008 | 82535 | 64172 | 9015 | 29664 | 78733 | 16417 | 9588 | 4126 | 22062 | 40563 | 93297 | 3143 | 15637 | 21903 | 56092 | 6238 | 46241 | 69447 | 17970 | 163934 | 18442 | 39724.90697674418 | 5144.331252478927 | 66890 | 64802 | 37536 | 19748 | 2244 | 33743 | 22263 | 38062 | 122330 | 33378 | 72585 | 67519 | 48425 | 9263.335420959997 | -8700.093023255817 | 0.4285042736700617 | 82.03388121165551 |  |  |  | 226842
224808 | 458884 | 181 | 224808 | 88:62.0 89:599.0 90:166.0 91:37.0 93:96.0 94:363.0 96:261.0 98:74.0 100:472.0 103:7.0 107:1177.0 108:222.0 110:1607.0 111:30.0 115:6.0 118:108.0 119:1.0 120:52.0 122:253.0 123:669.0 124:107.0 125:27.0 127:1183.0 130:147.0 131:4.0 133:10.0 134:854.0 135:41 |  |  |  | 6332 | 8571 | 6965 | 7673 | 5646 | 7833 | 5267 | 11039 | 6531 | 5463 | 9583 | 5327 | 8389 | 4553 | 3903 | 5795 | 3168 | 8740 | 7565 | 3924 | 6668 | 5114 | 9993 | 9815 | 4143 | 4584 | 9510 | 5419 | 4828 | 3453 | 5685 | 8134 | 7926 | 4285 | 5204 | 7638 | 8434 | 4090 | 4806 | 7971 | 6050 | 11140 | 4102 | 6540.906976744186 | 326.8201841916681 | 8674 | 9313 | 9283 | 5410 | 3821 | 6845 | 4953 | 9771 | 10542 | 9992 | 8607 | 8472 | 7973.583333333333 | 632.2389083625545 | -1432.676356589147 | 0.04652835557476332 | 82.03221441732622 |  |  | *** | 224808
226846 | 442001 | 258 | 226846 | 85:516.0 86:4985.0 87:1913.0 88:297.0 92:159.0 93:106.0 94:14.0 95:203.0 96:170.0 98:803.0 99:986.0 100:14054.0 101:2504.0 102:2719.0 103:1008.0 104:16.0 105:244.0 107:642.0 109:131.0 110:529.0 111:26.0 112:195.0 113:879.0 114:3258.0 115:2435.0 116:1107.0 |  |  |  | 7982 | 9203 | 4005 | 6166 | 1407 | 9858 | 2966 | 10069 | 4481 | 3537 | 11040 | 3421 | 7986 | 2652 | 1554 | 4789 | 1407 | 8651 | 10893 | 3772 | 4472 | 2300 | 11672 | 12324 | 2794 | 4371 | 12073 | 3494 | 1647 | 1441 | 2683 | 7614 | 7524 | 1414 | 1806 | 5557 | 9423 | 1343 | 5463 | 9665 | 2489 | 14987 | 3333 | 5714.604651162791 | 574.6447852098896 | 9664 | 8503 | 6943 | 3918 | 899 | 5478 | 2622 | 7697 | 14602 | 6722 | 8155 | 8451 | 6971.166666666667 | 1027.450484196074 | -1256.562015503876 | 0.3062842536840469 | 81.97486768588888 |  |  |  | 226846
227391 | 527630 | 170 | 227391 | 88:900.0 89:492.0 90:136.0 92:94.0 94:51.0 95:24.0 98:4635.0 99:934.0 100:135.0 101:64.0 102:368.0 109:217.0 110:2130.0 111:170.0 112:302.0 113:497.0 114:363.0 118:173.0 122:92.0 124:419.0 127:340.0 128:53.0 129:2227.0 131:154.0 132:34.0 134:2215.0 138:7. |  |  |  | 2560 | 2335 | 1644 | 1774 | 1135 | 1541 | 1392 | 2301 | 2105 | 1461 | 3468 | 996 | 2142 | 1250 | 1141 | 1657 | 972 | 2585 | 1784 | 453 | 1110 | 926 | 2733 | 3146 | 1280 | 1158 | 3337 | 1072 | 1088 | 958 | 1653 | 1591 | 2169 | 1172 | 908 | 2009 | 1670 | 959 | 1722 | 2018 | 711 | 3583 | 985 | 1689.627906976744 | 117.3589161393543 | 2276 | 2780 | 3176 | 1285 | 977 | 1359 | 1397 | 1984 | 2822 | 1360 | 2773 | 2549 | 2061.5 | 219.1387930195396 | -371.8720930232557 | 0.1436665717726919 | 81.96109177670358 |  |  |  | 227391
[NAME] | 507734 | 198 | 200425 | 85:391.0 86:157.0 87:197.0 88:83.0 89:3128.0 90:249.0 91:359.0 92:18.0 93:33.0 94:2.0 95:43.0 96:9.0 97:842.0 98:144.0 99:219.0 100:122.0 101:471.0 102:91.0 103:908.0 104:48.0 105:69.0 108:3.0 109:9.0 110:31.0 111:395.0 112:805.0 113:115.0 114:22.0 115:30 | 51 | C00026 |  | 1557 | 1268 | 1523 | 1499 | 1850 | 645 | 5410 | 1164 | 1542 | 967 | 1321 | 1111 | 995 | 1320 | 1206 | 1051 | 1306 | 832 | 1137 | 1700 | 972 | 1796 | 1046 | 1028 | 1815 | 2464 | 1319 | 1796 | 1286 | 796 | 1183 | 769 | 2976 | 1255 | 1876 | 699 | 1095 | 802 | 1295 | 1283 | 404 | 1711 | 596 | 1387.581395348837 | 120.9374889210609 | 2053 | 1147 | 2487 | 2852 | 2509 | 2204 | 1266 | 1111 | 1216 | 1501 | 596 | 1399 | 1695.083333333333 | 202.3282832852879 | -307.501937984496 | 0.2295219694295683 | 81.85918462310629 |  |  |  | [NAME]
224571 | 371691 | 140 | 224571 | 85:620.0 87:235.0 89:268.0 90:360.0 91:494.0 92:256.0 93:604.0 94:979.0 95:1184.0 96:2507.0 97:3367.0 98:16998.0 99:1219.0 100:1139.0 101:402.0 102:808.0 103:1254.0 104:1022.0 105:168.0 106:88.0 107:3865.0 108:630.0 109:1094.0 110:1993.0 111:214.0 112:693 |  |  |  | 19702 | 38661 | 21773 | 25242 | 16486 | 23926 | 16791 | 47492 | 32320 | 16947 | 46350 | 15062 | 30849 | 18206 | 12988 | 19584 | 11745 | 39208 | 34934 | 12459 | 22502 | 15607 | 48507 | 41469 | 13200 | 14871 | 41461 | 13969 | 14333 | 11804 | 20238 | 25390 | 37274 | 15046 | 16643 | 23323 | 33720 | 14101 | 24066 | 37714 | 18492 | 59221 | 12173 | 25019.74418604651 | 1875.676323971378 | 36889 | 43517 | 29450 | 17995 | 13314 | 22582 | 15115 | 30761 | 53798 | 27567 | 37601 | 38190 | 30564.91666666667 | 3506.992824858801 | -5545.172480620156 | 0.1720298235909432 | 81.85772092528693 |  |  |  | 224571
glycerol-beta-phosphate | 574994 | 211 | 212582 | 85:68.0 87:44.0 89:117.0 91:9.0 93:8.0 97:35.0 99:59.0 101:1364.0 102:25.0 103:797.0 104:86.0 105:83.0 107:27.0 109:100.0 111:9.0 115:165.0 116:474.0 119:53.0 121:51.0 123:86.0 129:1400.0 130:380.0 131:332.0 132:57.0 133:843.0 134:260.0 135:310.0 136:4.0 | 2526 | C02979 |  | 501 | 480 | 579 | 690 | 734 | 871 | 574 | 827 | 577 | 853 | 712 | 808 | 802 | 801 | 393 | 572 | 584 | 603 | 743 | 705 | 705 | 804 | 510 | 873 | 687 | 574 | 648 | 586 | 573 | 765 | 386 | 1176 | 1247 | 1020 | 1142 | 730 | 519 | 733 | 428 | 549 | 1409 | 1022 | 512 | 721.0930232558139 | 34.71680738981664 | 657 | 1842 | 788 | 1038 | 795 | 984 | 589 | 428 | 656 | 925 | 604 | 1316 | 885.1666666666666 | 111.2524996881809 | -164.0736434108527 | 0.06641042452514484 | 81.46409601835593 |  |  |  | glycerol-beta-phosphate
200427 | 452933 | 154 | 200427 | 85:232.0 86:2955.0 87:378.0 88:140.0 89:687.0 90:98.0 91:11.0 95:22.0 97:17.0 98:160.0 99:103.0 100:1583.0 101:244.0 102:835.0 103:47.0 104:21.0 110:5.0 111:6.0 112:142.0 113:141.0 114:640.0 115:105.0 116:196.0 117:125.0 118:19.0 124:5.0 125:1.0 126:95.0 |  |  |  | 39953 | 41463 | 52575 | 50482 | 54107 | 46799 | 35229 | 53567 | 35033 | 42040 | 40429 | 29141 | 42183 | 33493 | 19625 | 38232 | 11804 | 45595 | 42960 | 22999 | 41213 | 31448 | 38232 | 52281 | 23505 | 30174 | 45248 | 28180 | 39465 | 18590 | 42064 | 43401 | 39239 | 17318 | 34766 | 50773 | 43255 | 26267 | 33918 | 46342 | 43160 | 47874 | 28145 | 37734.11627906977 | 1600.151469923743 | 48689 | 45026 | 56020 | 35031 | 18094 | 51766 | 33264 | 56271 | 49326 | 74612 | 42245 | 46297 | 46386.75 | 4036.47351549442 | -8652.63372093023 | 0.02285376015907936 | 81.34675587116962 |  |  | *** | 200427
229962 | 951858 | 397 | 229962 | 85:1893.0 86:301.0 87:8423.0 88:337.0 89:2092.0 90:158.0 91:1274.0 92:388.0 93:2409.0 94:387.0 95:5733.0 96:1170.0 97:4577.0 98:2628.0 99:1466.0 100:346.0 101:7236.0 102:855.0 103:14468.0 104:1755.0 105:1225.0 106:196.0 107:2087.0 108:348.0 109:2644.0 110 |  |  |  | 2160 | 108 | 209 | 202 | 169 | 236 | 192 | 218 | 467 | 185 | 128 | 374 | 332 | 833 | 382 | 527 | 323 | 96 | 4156 | 184 | 825 | 334 | 348 | 439 | 1321 | 250 | 215 | 162 | 255 | 329 | 749 | 78 | 990 | 1700 | 595 | 657 | 258 | 292 | 295 | 130 | 196 | 226 | 1302 | 544.8139534883721 | 109.4780340018906 | 473 | 211 | 3946 | 691 | 361 | 607 | 112 | 215 | 375 | 527 | 248 | 271 | 669.75 | 302.0724407649546 | -124.9360465116279 | 0.6332221725249867 | 81.34586838198912 |  |  |  | 229962
215504 | 512079 | 373 | 215504 | 85:35.0 86:68.0 87:37.0 89:227.0 90:13.0 92:3.0 93:11.0 94:2.0 97:11.0 98:44.0 99:20.0 101:134.0 103:449.0 104:22.0 105:18.0 107:7.0 108:22.0 110:241.0 111:1.0 114:6.0 115:26.0 116:168.0 121:18.0 122:7.0 127:29.0 128:29.0 129:74.0 131:51.0 132:18.0 133:35 |  |  |  | 912 | 2049 | 776 | 1028 | 321 | 755 | 808 | 3007 | 2344 | 604 | 3121 | 360 | 2225 | 1181 | 201 | 867 | 203 | 2106 | 2207 | 271 | 1083 | 767 | 3915 | 1571 | 264 | 631 | 2997 | 517 | 296 | 197 | 993 | 1126 | 2967 | 237 | 877 | 868 | 1516 | 206 | 1241 | 2733 | 1055 | 4464 | 387 | 1308.232558139535 | 166.9332624297406 | 2365 | 2269 | 1734 | 455 | 233 | 1206 | 687 | 1834 | 2296 | 1058 | 2883 | 2375 | 1616.25 | 250.6921063714805 | -308.0174418604652 | 0.3737425088969831 | 80.94246299393873 |  |  |  | 215504
217842 | 447001 | 265 | 217842 | 87:414.0 88:164.0 89:119.0 90:14.0 92:10.0 93:21.0 95:18.0 98:10740.0 99:868.0 101:183.0 102:89.0 103:1437.0 104:136.0 105:364.0 106:62.0 109:4.0 110:236.0 111:14.0 112:31.0 114:890.0 115:610.0 116:30.0 117:924.0 118:124.0 119:346.0 120:9.0 124:174.0 126: |  |  |  | 9553 | 23225 | 6445 | 13059 | 3429 | 12116 | 6667 | 23074 | 21446 | 6630 | 37715 | 4984 | 18671 | 5334 | 3445 | 10729 | 2852 | 22683 | 19621 | 4263 | 10755 | 5891 | 20165 | 26019 | 3642 | 7418 | 21023 | 4479 | 3287 | 3009 | 5840 | 12126 | 21844 | 3394 | 5676 | 6434 | 18701 | 4020 | 12528 | 21336 | 7202 | 46424 | 6266 | 12405.11627906977 | 1505.618204399422 | 18267 | 26409 | 9393 | 7193 | 2945 | 9446 | 6973 | 13516 | 31934 | 10580 | 25598 | 22034 | 15357.33333333333 | 2672.234430871542 | -2952.217054263567 | 0.3578193836872168 | 80.77649947301897 |  |  |  | 217842
281172 | 589910 | 140 | 281172 | 85:202.0 86:69.0 88:159.0 90:565.0 94:161.0 97:189.0 98:331.0 100:49.0 101:272.0 102:206.0 103:2963.0 104:276.0 107:227.0 108:50.0 110:458.0 112:373.0 113:197.0 114:81.0 116:1529.0 117:61.0 118:12.0 121:53.0 124:70.0 126:24.0 127:354.0 129:34.0 130:21.0 1 |  |  |  | 7646 | 13090 | 5740 | 9017 | 2122 | 7455 | 4821 | 10942 | 13419 | 4227 | 16068 | 3185 | 11824 | 4372 | 1772 | 7553 | 1567 | 13347 | 11271 | 2714 | 6215 | 3779 | 18562 | 11837 | 2454 | 6321 | 13901 | 4427 | 2301 | 1571 | 5070 | 8107 | 15968 | 1203 | 3636 | 4655 | 10424 | 1851 | 9120 | 12142 | 4521 | 27124 | 3617 | 7696.697674418605 | 848.1001943663595 | 11583 | 12854 | 8452 | 4886 | 1177 | 7192 | 4948 | 7502 | 21507 | 7396 | 12582 | 14271 | 9529.166666666666 | 1552.449744628135 | -1832.468992248061 | 0.3141896490583751 | 80.76989251685463 |  |  |  | 281172
224529 | 549948 | 275 | 224529 | 86:695.0 89:625.0 91:1737.0 92:304.0 93:1110.0 94:2441.0 95:393.0 98:1354.0 100:64.0 102:75.0 104:584.0 105:1.0 106:1059.0 107:1034.0 108:914.0 109:22.0 110:6961.0 111:394.0 112:199.0 113:101.0 114:293.0 116:142.0 117:183.0 118:1328.0 119:442.0 120:873.0 |  |  |  | 1711 | 2699 | 1866 | 2140 | 1667 | 2051 | 2827 | 3297 | 2203 | 1662 | 3441 | 1711 | 2283 | 1924 | 1067 | 1914 | 2039 | 2774 | 2376 | 1735 | 1714 | 1362 | 3352 | 3697 | 1568 | 1552 | 3016 | 1480 | 1411 | 1716 | 1898 | 2022 | 2428 | 1610 | 1820 | 2024 | 2473 | 1508 | 1550 | 2397 | 1865 | 3905 | 1242 | 2116.209302325582 | 103.4857299300626 | 3182 | 3251 | 2923 | 2333 | 2015 | 1941 | 1477 | 2723 | 3449 | 2489 | 2868 | 2814 | 2622.083333333333 | 170.46720373874 | -505.8740310077519 | 0.022907655278351 | 80.70717186685835 |  |  | *** | 224529
281106 | 485548 | 232 | 281106 | 85:2729.0 86:8458.0 88:1582.0 89:2478.0 90:119.0 91:50.0 95:472.0 96:27.0 98:2810.0 99:1522.0 100:7421.0 101:3495.0 102:1380.0 103:2595.0 104:189.0 105:954.0 106:340.0 107:588.0 108:119.0 109:19.0 111:205.0 112:1331.0 113:1962.0 114:3132.0 115:3479.0 116: |  |  |  | 47717 | 34498 | 82266 | 45770 | 91737 | 50238 | 93451 | 62180 | 59209 | 63676 | 42097 | 116643 | 77375 | 88061 | 115359 | 58583 | 54929 | 29457 | 79656 | 53278 | 56558 | 66164 | 41950 | 24545 | 127498 | 76635 | 69834 | 117760 | 114314 | 66588 | 61019 | 58629 | 61268 | 82990 | 46060 | 62822 | 33714 | 89922 | 51388 | 55975 | 58512 | 107262 | 40348 | 67858.95348837209 | 3943.464161000551 | 115776 | 75469 | 86327 | 93349 | 164369 | 70876 | 62721 | 75594 | 62501 | 59082 | 37927 | 106130 | 84176.75 | 9544.70349248575 | -16317.79651162791 | 0.07489900143098578 | 80.6148413764752 |  |  |  | 281106
239995 | 655244 | 287 | 239995 | 85:1027.0 86:731.0 87:422.0 88:657.0 89:4885.0 90:433.0 91:274.0 92:115.0 93:362.0 94:91.0 95:400.0 96:98.0 97:2007.0 98:7462.0 99:1475.0 100:1565.0 101:2832.0 102:528.0 103:5136.0 104:628.0 105:846.0 106:81.0 107:694.0 108:72.0 109:103.0 110:1111.0 111:3 |  |  |  | 1621 | 2901 | 926 | 1804 | 536 | 1621 | 882 | 2312 | 2704 | 827 | 2668 | 645 | 1555 | 811 | 424 | 1461 | 263 | 2821 | 2466 | 677 | 1281 | 899 | 3614 | 2127 | 569 | 1289 | 2948 | 883 | 521 | 400 | 1015 | 1189 | 2776 | 346 | 909 | 649 | 2361 | 397 | 1408 | 2818 | 701 | 4298 | 752 | 1490.116279069767 | 153.9887176020667 | 2624 | 2574 | 1440 | 1119 | 455 | 1351 | 702 | 1083 | 4408 | 1145 | 2254 | 3030 | 1848.75 | 331.6958063565855 | -358.6337209302326 | 0.2957465970559559 | 80.60128622419296 |  |  |  | 239995
281122 | 234713 | 105 | 281122 | 85:21624.0 86:706.0 88:27.0 89:2133.0 90:428.0 91:10614.0 92:2858.0 93:507.0 94:351.0 95:1250.0 96:552.0 97:3608.0 98:11882.0 99:1550.0 102:878.0 103:6501.0 104:3297.0 105:94139.0 106:8607.0 107:749.0 108:70.0 109:6490.0 110:1967.0 111:20.0 113:8484.0 115 |  |  |  | 63781 | 64889 | 99590 | 102025 | 77466 | 73009 | 109392 | 110244 | 83159 | 107276 | 90416 | 110924 | 85577 | 84048 | 92406 | 80876 | 95200 | 68537 | 88467 | 96502 | 80298 | 108634 | 80513 | 91892 | 84676 | 96287 | 80191 | 76586 | 50993 | 84182 | 51054 | 76815 | 68952 | 110633 | 110378 | 69113 | 80709 | 108349 | 89311 | 90562 | 96504 | 62973 | 42854 | 85494.02325581395 | 2645.262589566717 | 92193 | 113489 | 93101 | 190477 | 117417 | 90886 | 88704 | 109243 | 120336 | 95245 | 64786 | 97493 | 106114.1666666667 | 8837.726040856458 | -20620.14341085272 | 0.003719337106329508 | 80.56796367668214 |  |  | *** | 281122
222058 | 477647 | 366 | 222058 | 85:233.0 86:174.0 89:557.0 90:285.0 92:244.0 93:204.0 94:1642.0 95:1291.0 96:1586.0 97:126.0 99:343.0 100:42.0 101:464.0 102:159.0 103:1054.0 105:64.0 108:1205.0 109:865.0 110:10763.0 111:519.0 112:362.0 114:221.0 115:11.0 116:450.0 117:811.0 118:325.0 11 |  |  |  | 3171 | 5604 | 3542 | 4452 | 2497 | 3212 | 2565 | 7892 | 4103 | 2894 | 7728 | 2997 | 7969 | 3316 | 2233 | 3333 | 1962 | 5068 | 3992 | 1955 | 3385 | 2308 | 8673 | 6938 | 2140 | 2153 | 6431 | 2648 | 2079 | 1886 | 2901 | 6120 | 5826 | 2367 | 2372 | 5259 | 4753 | 2153 | 3812 | 4159 | 2967 | 11370 | 2110 | 4076.627906976744 | 336.3556264513291 | 5928 | 6021 | 5752 | 2790 | 2220 | 3211 | 2895 | 6761 | 7618 | 5388 | 6847 | 5352 | 5065.25 | 524.425993926751 | -988.6220930232557 | 0.1611291382058172 | 80.48226458667872 |  |  |  | 222058
219021 | 335520 | 228 | 219021 | 85:79.0 86:747.0 87:481.0 88:1478.0 89:535.0 90:80.0 91:1250.0 92:199.0 93:150.0 96:33.0 97:568.0 99:59.0 100:147.0 102:341.0 103:2026.0 104:444.0 105:491.0 106:61.0 107:301.0 108:726.0 109:97.0 110:17975.0 111:666.0 112:26.0 113:79.0 114:274.0 115:714.0 |  |  |  | 863621 | 1227522 | 518941 | 894656 | 191868 | 701236 | 530780 | 1039910 | 1439877 | 484619 | 1618677 | 284411 | 1326128 | 393348 | 156831 | 810348 | 83491 | 1332481 | 1072832 | 272878 | 606016 | 338352 | 1714105 | 1062146 | 236574 | 706943 | 1276459 | 403964 | 202840 | 114557 | 459602 | 770542 | 1526977 | 103616 | 378596 | 392086 | 1044014 | 182101 | 957845 | 1253410 | 436968 | 2354026 | 382408 | 747641.9069767442 | 80403.45333429112 | 1129425 | 1183669 | 708917 | 544210 | 72232 | 723291 | 561707 | 797863 | 2136198 | 750126 | 1149599 | 1398649 | 929657.1666666666 | 150467.6258586641 | -182015.2596899224 | 0.2939957342938566 | 80.42124922862183 |  |  |  | 219021
226927 | 824957 | 445 | 226927 | 85:195.0 86:9.0 87:791.0 94:90.0 95:2.0 96:1.0 97:29.0 99:35.0 101:354.0 103:363.0 104:40.0 111:64.0 112:90.0 114:3.0 116:176.0 130:109.0 131:35.0 132:22.0 137:37.0 140:120.0 141:25.0 143:188.0 144:444.0 147:429.0 148:19.0 152:20.0 154:112.0 155:34.0 156: |  |  |  | 3392 | 752 | 4274 | 5187 | 3467 | 4510 | 6841 | 3046 | 429 | 8626 | 2179 | 5604 | 7754 | 1491 | 5018 | 1939 | 1978 | 2793 | 2261 | 5028 | 3199 | 2162 | 925 | 1771 | 6177 | 2369 | 1309 | 6269 | 1182 | 3425 | 1586 | 7533 | 4907 | 3573 | 918 | 8426 | 1713 | 5005 | 1510 | 1064 | 9228 | 2742 | 847 | 3590.906976744186 | 368.2403306275993 | 577 | 3329 | 4023 | 3929 | 1534 | 3384 | 9222 | 6446 | 2570 | 14199 | 2146 | 2500 | 4488.25 | 1103.632817486565 | -897.3430232558139 | 0.3249977633184462 | 80.00683956428867 |  |  |  | 226927
240265 | 672366 | 139 | 240265 | 87:3622.0 88:477.0 94:234.0 95:520.0 97:402.0 98:383.0 100:970.0 108:130.0 110:443.0 111:1137.0 112:541.0 114:321.0 117:476.0 122:62.0 123:32.0 124:75.0 127:5.0 134:3402.0 136:264.0 138:272.0 139:8576.0 140:729.0 142:9.0 143:879.0 144:24.0 147:5521.0 148: |  |  |  | 2847 | 7229 | 2916 | 3617 | 1322 | 3199 | 3154 | 7532 | 5579 | 3027 | 10756 | 970 | 13892 | 1809 | 923 | 2833 | 946 | 7403 | 4922 | 1216 | 3682 | 1900 | 12119 | 6149 | 954 | 2618 | 6807 | 1827 | 3751 | 2331 | 2046 | 7127 | 12319 | 1856 | 2071 | 3197 | 5203 | 1069 | 6928 | 6021 | 4101 | 20109 | 1662 | 4696.255813953489 | 620.6182527181196 | 5082 | 7027 | 5081 | 2007 | 655 | 2914 | 3810 | 6002 | 15593 | 5385 | 7907 | 9062 | 5877.083333333333 | 1124.148340653016 | -1180.827519379844 | 0.3739766838108204 | 79.90793302721285 |  |  |  | 240265
226843 | 551430 | 171 | 226843 | 85:877.0 86:3059.0 87:654.0 88:213.0 90:82.0 91:329.0 93:122.0 95:231.0 97:381.0 98:2157.0 99:2085.0 100:5946.0 101:2099.0 102:6936.0 103:1290.0 104:476.0 106:29.0 107:863.0 108:109.0 109:684.0 110:422.0 111:89.0 112:657.0 113:243.0 114:492.0 115:914.0 11 |  |  |  | 34661 | 43941 | 18522 | 32580 | 6317 | 27067 | 15509 | 29998 | 51528 | 15816 | 57801 | 8234 | 44081 | 9408 | 4037 | 29619 | 2337 | 49568 | 32134 | 7912 | 21063 | 12035 | 57600 | 33294 | 7257 | 24290 | 50154 | 12992 | 5999 | 3194 | 14889 | 26557 | 36469 | 2832 | 9311 | 13763 | 36526 | 5682 | 26687 | 39885 | 6056 | 95738 | 13754 | 25048.76744186047 | 3000.23583972167 | 31253 | 39163 | 25330 | 18681 | 1489 | 24616 | 19467 | 22310 | 80201 | 21987 | 41415 | 50254 | 31347.16666666667 | 5740.935555994407 | -6298.399224806202 | 0.3323356649178112 | 79.9075964606917 |  |  |  | 226843
227345 | 395995 | 186 | 227345 | 85:3270.0 86:3696.0 87:268.0 88:577.0 89:2752.0 91:762.0 94:168.0 98:6951.0 100:3277.0 101:2430.0 102:12091.0 103:3838.0 104:265.0 108:338.0 109:319.0 110:310.0 111:223.0 112:495.0 113:52.0 114:2019.0 115:213.0 116:2146.0 117:697.0 118:758.0 119:511.0 126 |  |  |  | 12207 | 24551 | 9317 | 14214 | 6842 | 17200 | 7325 | 16101 | 17793 | 7103 | 28436 | 6493 | 16684 | 6754 | 4978 | 12818 | 3480 | 25197 | 18491 | 6109 | 11698 | 7470 | 10823 | 22387 | 5265 | 8795 | 23422 | 5781 | 6905 | 3918 | 10111 | 13215 | 19688 | 4616 | 7270 | 8247 | 21369 | 5398 | 11323 | 20748 | 9452 | 36988 | 8087 | 12676.02325581395 | 1171.598626504019 | 21726 | 18940 | 16899 | 9007 | 3738 | 13206 | 7786 | 14850 | 25645 | 12499 | 22459 | 23797 | 15879.33333333333 | 1995.67048933941 | -3203.31007751938 | 0.1981722660448793 | 79.82717529586016 |  |  |  | 227345
226841 | 759286 | 232 | 226841 | 85:87.0 86:2474.0 87:458.0 88:808.0 89:484.0 94:75.0 95:202.0 96:170.0 97:2294.0 98:293.0 99:151.0 100:1861.0 101:1638.0 102:438.0 103:6923.0 104:378.0 105:334.0 106:90.0 111:401.0 112:34.0 114:864.0 115:723.0 116:3651.0 117:2324.0 118:310.0 119:138.0 123 |  |  |  | 25962 | 17489 | 26383 | 16084 | 27407 | 13034 | 25419 | 12855 | 21395 | 18271 | 20430 | 29719 | 18857 | 4996 | 19054 | 17631 | 27450 | 19592 | 18665 | 26478 | 14499 | 6829 | 30726 | 22575 | 38945 | 25959 | 25673 | 28786 | 19496 | 14854 | 17875 | 14412 | 28112 | 15946 | 12880 | 13134 | 17865 | 18410 | 8623 | 15750 | 16096 | 33914 | 8036 | 19920.13953488372 | 1126.475101622397 | 19584 | 23806 | 29298 | 26202 | 30052 | 23712 | 21701 | 14394 | 20411 | 38536 | 21453 | 30473 | 24968.5 | 1842.334308573082 | -5048.360465116279 | 0.03608088157934711 | 79.78108230323696 |  |  | *** | 226841
281166 | 934476 | 290 | 281166 | 89:5193.0 90:420.0 93:66.0 94:56.0 96:64.0 97:163.0 98:68.0 102:50.0 103:1479.0 104:37.0 108:24.0 114:113.0 116:208.0 117:217.0 135:72.0 142:20.0 144:369.0 158:207.0 161:936.0 162:40.0 163:667.0 164:48.0 165:14.0 172:126.0 173:11.0 174:14.0 176:46.0 177:7 |  |  |  | 1484 | 4442 | 1370 | 1912 | 543 | 1923 | 608 | 4307 | 3545 | 715 | 7938 | 295 | 3048 | 1352 | 312 | 1023 | 229 | 4409 | 3441 | 253 | 931 | 589 | 4175 | 5717 | 347 | 623 | 4273 | 444 | 522 | 189 | 1642 | 2873 | 3957 | 283 | 561 | 1590 | 3608 | 272 | 1395 | 3784 | 492 | 7497 | 444 | 2078.069767441861 | 307.3992292640025 | 2786 | 4641 | 3410 | 627 | 356 | 1087 | 624 | 2238 | 4967 | 870 | 5606 | 4070 | 2606.833333333333 | 549.8029651657497 | -528.7635658914728 | 0.4201036692989901 | 79.71624963014618 |  |  |  | 281166
222169 | 975088 | 144 | 222169 | 85:126.0 86:76.0 89:207.0 90:315.0 91:646.0 93:130.0 94:191.0 95:382.0 97:395.0 98:1885.0 99:66.0 100:141.0 101:97.0 108:218.0 111:44.0 112:111.0 113:1.0 115:1182.0 116:5333.0 117:456.0 118:104.0 120:99.0 121:117.0 122:334.0 124:78.0 125:530.0 127:293.0 1 |  |  |  | 19521 | 12509 | 6440 | 6203 | 6416 | 11404 | 6448 | 4075 | 9107 | 4059 | 8938 | 3816 | 7381 | 37162 | 16568 | 3141 | 6537 | 38314 | 15096 | 14159 | 18193 | 9297 | 16974 | 2678 | 5429 | 33382 | 14345 | 2601 | 24695 | 8019 | 9675 | 15291 | 29956 | 22322 | 12184 | 12315 | 11973 | 7278 | 38306 | 52968 | 13930 | 15407 | 7045 | 14454.81395348837 | 1734.273233091143 | 35921 | 12083 | 28274 | 25304 | 13880 | 37695 | 6444 | 4108 | 30735 | 9062 | 3871 | 10236 | 18134.41666666667 | 3639.256124994239 | -3679.602713178296 | 0.3372862477587029 | 79.70928549390912 |  |  |  | 222169
223500 | 516216 | 269 | 223500 | 86:60.0 94:212.0 95:417.0 98:208.0 100:132.0 103:1.0 107:47.0 110:637.0 116:11.0 117:8.0 122:4.0 123:5.0 124:47.0 126:8.0 127:114.0 128:166.0 129:13.0 130:285.0 134:76.0 136:70.0 137:5.0 138:317.0 144:48.0 147:8.0 149:1.0 150:70.0 165:173.0 166:37.0 170:6 |  |  |  | 7498 | 8792 | 6381 | 9568 | 3679 | 7984 | 4987 | 10166 | 9013 | 5157 | 12685 | 3351 | 10920 | 4302 | 2258 | 6982 | 1754 | 9774 | 9128 | 2866 | 6705 | 4742 | 11909 | 9968 | 2799 | 5250 | 10268 | 3916 | 2965 | 1768 | 4016 | 7703 | 10831 | 1917 | 4083 | 5465 | 9371 | 2221 | 6460 | 9587 | 5353 | 16959 | 4094 | 6641.744186046511 | 534.1345771469039 | 8510 | 11670 | 7131 | 5031 | 1780 | 7125 | 5557 | 8701 | 15422 | 8651 | 9790 | 10706 | 8339.5 | 1007.043734568332 | -1697.755813953489 | 0.1432252390275123 | 79.64199515614258 |  |  |  | 223500
199773 | 755246 | 215 | 199773 | 85:1040.0 86:1525.0 87:495.0 88:1118.0 89:601.0 90:119.0 91:29.0 92:36.0 93:248.0 94:64.0 95:649.0 96:581.0 97:10553.0 98:3677.0 99:531.0 100:1134.0 101:1172.0 102:728.0 103:3148.0 104:469.0 105:156.0 106:16.0 107:108.0 108:59.0 109:327.0 110:64.0 111:128 |  |  |  | 60239 | 55356 | 135960 | 61445 | 141055 | 77944 | 113282 | 135452 | 108315 | 82836 | 60628 | 110545 | 161735 | 76869 | 231585 | 78252 | 57549 | 48240 | 104943 | 64989 | 75323 | 120142 | 75892 | 30429 | 270753 | 131875 | 119170 | 181781 | 111254 | 98587 | 106063 | 91734 | 184145 | 103752 | 93454 | 82112 | 49594 | 129663 | 127724 | 93696 | 88595 | 203837 | 51425 | 106702.7674418605 | 7689.045884531947 | 123518 | 113925 | 201733 | 107739 | 263579 | 86398 | 122273 | 98256 | 143953 | 62403 | 53130 | 235735 | 134386.8333333333 | 19143.68816221211 | -27684.06589147288 | 0.1230089708057339 | 79.39971855516137 |  |  |  | 199773
226844 | 641635 | 301 | 226844 | 85:346.0 86:3016.0 87:190.0 88:559.0 89:1199.0 95:28.0 97:362.0 98:1027.0 99:621.0 100:5019.0 101:2427.0 102:859.0 103:1956.0 105:367.0 108:5.0 109:282.0 110:309.0 112:214.0 113:353.0 114:371.0 116:1317.0 117:2249.0 118:242.0 121:53.0 122:29.0 124:7.0 125 |  |  |  | 28355 | 44661 | 20175 | 30705 | 8546 | 26148 | 14007 | 35807 | 44840 | 14050 | 38290 | 14200 | 25228 | 13380 | 8370 | 28387 | 6186 | 43738 | 42442 | 13364 | 24163 | 16254 | 53046 | 25778 | 11050 | 26177 | 46566 | 17471 | 7980 | 6757 | 15855 | 19114 | 38824 | 6871 | 15172 | 11479 | 37524 | 9795 | 31107 | 46540 | 13592 | 63822 | 14866 | 24667.02325581395 | 2242.809487697185 | 38413 | 44351 | 21683 | 20747 | 4834 | 27588 | 13995 | 20679 | 72742 | 23396 | 34364 | 50151 | 31078.58333333333 | 5291.033873104422 | -6411.560077519378 | 0.2115177888603763 | 79.36984447214923 |  |  |  | 226844
ethanolamine | 342787 | 174 | 213251 | 85:984.0 86:37354.0 87:4267.0 88:3374.0 89:1377.0 90:181.0 97:11.0 98:234.0 99:721.0 100:37001.0 101:4773.0 102:3509.0 103:3054.0 104:472.0 105:595.0 113:1061.0 114:4332.0 115:1470.0 116:6103.0 117:3990.0 118:984.0 119:1392.0 120:133.0 121:48.0 126:6.0 12 | 700 | C00189 |  | 383703 | 446341 | 546797 | 516263 | 509847 | 496566 | 345064 | 519821 | 412573 | 421986 | 438718 | 243087 | 444148 | 399102 | 156489 | 366649 | 89917 | 498800 | 501297 | 182894 | 439967 | 283908 | 430198 | 466103 | 186713 | 276559 | 500903 | 215578 | 384018 | 144831 | 434912 | 460900 | 384198 | 135543 | 333157 | 544143 | 493944 | 212292 | 373902 | 494571 | 432814 | 522188 | 277785 | 380213.6976744186 | 19510.55422395096 | 526092 | 534078 | 560164 | 323237 | 137333 | 518674 | 337486 | 609933 | 579771 | 659885 | 461703 | 509108 | 479788.6666666667 | 42252.25196263674 | -99574.96899224806 | 0.02475323151121769 | 79.24607730231614 |  |  | *** | ethanolamine
224792 | 436689 | 155 | 224792 | 85:2092.0 87:4776.0 88:665.0 90:26.0 92:143.0 93:385.0 94:82.0 95:257.0 96:4191.0 97:2280.0 98:1710.0 99:30990.0 100:754.0 101:586.0 103:951.0 104:83.0 107:1228.0 109:228.0 110:2836.0 111:4945.0 112:1119.0 113:7748.0 114:1232.0 116:136.0 118:372.0 122:198 |  |  |  | 28912 | 46711 | 25577 | 34756 | 20357 | 27623 | 24357 | 48102 | 47319 | 25136 | 74534 | 18941 | 45832 | 16949 | 16286 | 29467 | 12394 | 43204 | 43420 | 17983 | 24971 | 21064 | 62286 | 53398 | 16222 | 24514 | 46416 | 20191 | 16258 | 14924 | 24929 | 33236 | 53098 | 17473 | 19857 | 26028 | 40085 | 15864 | 28590 | 44843 | 22623 | 87388 | 16958 | 32071.53488372093 | 2580.635675968358 | 45036 | 52024 | 43635 | 29277 | 14307 | 26084 | 23583 | 41534 | 73465 | 36371 | 54541 | 46361 | 40518.16666666666 | 4610.221748813427 | -8446.631782945733 | 0.1279333524640538 | 79.15346996710349 |  |  |  | 224792
204425 | 448206 | 350 | 204425 | 85:573.0 86:3940.0 87:7186.0 88:951.0 89:667.0 90:38.0 92:21.0 93:23.0 95:39.0 96:8.0 97:23.0 98:24.0 99:129.0 100:2533.0 101:2540.0 102:845.0 103:1656.0 104:185.0 105:894.0 106:90.0 107:99.0 108:11.0 109:4.0 112:44.0 113:304.0 114:146.0 115:1075.0 116:45 |  |  |  | 10495 | 10764 | 14873 | 17697 | 10093 | 11011 | 5599 | 9656 | 9779 | 8122 | 12441 | 15768 | 12961 | 16011 | 11167 | 12280 | 10717 | 9438 | 8733 | 9415 | 10325 | 11769 | 12298 | 10422 | 10196 | 8795 | 11990 | 15722 | 9319 | 8601 | 9917 | 11930 | 4323 | 14691 | 10012 | 13145 | 10658 | 12653 | 10752 | 8646 | 11010 | 14487 | 7699 | 11078.60465116279 | 410.8399563096093 | 14139 | 13024 | 15462 | 16045 | 13400 | 11602 | 8900 | 14162 | 17454 | 20469 | 11295 | 12007 | 13996.58333333333 | 889.7779128620639 | -2917.978682170544 | 0.002216502838499201 | 79.15220727317588 |  |  | *** | 204425
200429 | 438443 | 174 | 200429 | 85:40.0 86:961.0 87:88.0 88:35.0 89:258.0 90:24.0 95:8.0 98:30.0 99:8.0 100:484.0 101:54.0 102:49.0 103:3.0 109:2.0 111:3.0 112:15.0 113:16.0 114:75.0 115:4.0 116:7.0 117:7.0 118:1.0 120:3.0 122:2.0 124:3.0 125:1.0 126:13.0 127:2.0 128:10.0 130:129.0 131: |  |  |  | 29360 | 33667 | 41009 | 37878 | 38645 | 37230 | 24598 | 44575 | 28661 | 31002 | 32481 | 18696 | 31573 | 25918 | 12869 | 28249 | 6897 | 37312 | 35301 | 14213 | 31501 | 21778 | 30601 | 41459 | 14943 | 20579 | 36369 | 17961 | 28464 | 11581 | 33786 | 34318 | 31163 | 10905 | 24350 | 40392 | 34961 | 16265 | 25920 | 39571 | 31330 | 38295 | 21105 | 28551.88372093023 | 1459.437858530379 | 39281 | 37308 | 44155 | 23792 | 11138 | 39401 | 24258 | 44578 | 40171 | 58019 | 33984 | 37134 | 36101.58333333334 | 3456.019771132624 | -7549.699612403103 | 0.02627912674353694 | 79.08762188435013 |  |  | *** | 200429
281147 | 329324 | 106 | 281147 | 85:391.0 86:238.0 87:1115.0 88:271.0 90:208.0 91:1658.0 92:441.0 93:347.0 94:31.0 98:138.0 99:24713.0 100:13811.0 101:2828.0 102:434.0 104:5184.0 105:1612.0 106:20895.0 107:3440.0 108:54.0 111:1916.0 112:1217.0 113:605.0 114:3532.0 115:758.0 116:1008.0 11 |  |  |  | 11722 | 17737 | 11134 | 15239 | 8853 | 12809 | 10732 | 20245 | 16650 | 10466 | 25468 | 8835 | 17627 | 11277 | 7737 | 11231 | 6168 | 18374 | 16755 | 7087 | 11495 | 9674 | 20042 | 21186 | 7302 | 9296 | 19306 | 8147 | 8153 | 6486 | 10923 | 14249 | 18430 | 8184 | 9991 | 11574 | 17132 | 8090 | 16556 | 18778 | 10993 | 27219 | 6855 | 13167.60465116279 | 809.9512865186779 | 19269 | 21591 | 17449 | 10845 | 8320 | 12325 | 10073 | 18734 | 27459 | 14895 | 19485 | 20332 | 16731.41666666667 | 1611.35386544102 | -3563.812015503878 | 0.04704172454084875 | 78.6998788775375 |  |  | *** | 281147
oxalic acid | 259625 | 147 | 207563 | 87:26.0 88:5.0 89:17.0 90:17.0 91:27.0 92:2.0 93:18.0 95:4.0 96:7.0 99:2.0 101:6.0 102:114.0 103:149.0 104:1.0 105:47.0 106:2.0 108:11.0 109:4.0 111:8.0 113:8.0 114:3.0 115:48.0 116:13.0 117:87.0 119:5.0 120:4.0 122:7.0 123:5.0 125:4.0 126:5.0 128:4.0 130 | 971 | C00209 |  | 2378972 | 3312600 | 1748379 | 2471741 | 766511 | 2132060 | 1785556 | 2744028 | 3710379 | 1152413 | 3859089 | 927264 | 2994474 | 1210342 | 355822 | 2225267 | 403561 | 3560695 | 2742708 | 1028277 | 1877473 | 1294192 | 3346389 | 2544358 | 816292 | 2096778 | 3391977 | 1305177 | 607468 | 466164 | 1347893 | 2146024 | 2628972 | 422223 | 1320148 | 629837 | 3190636 | 631197 | 3084443 | 3053218 | 1528233 | 1461842 | 5703268 | 2009403.255813953 | 181667.6767903077 | 2703475 | 3622606 | 2120131 | 1851259 | 298037 | 2192441 | 1957796 | 1944131 | 4774864 | 2537716 | 2580635 | 4057769 | 2553405 | 336969.2303546693 | -544001.7441860465 | 0.1659904767387087 | 78.69504664610406 |  |  |  | oxalic acid
281189 | 226160 | 105 | 281189 | 85:19616.0 86:3409.0 87:9265.0 88:6530.0 89:16791.0 90:4403.0 91:280185.0 92:72839.0 93:15928.0 94:532.0 95:46.0 96:9311.0 99:580.0 101:4569.0 102:12004.0 103:56640.0 104:23989.0 105:285208.0 106:31702.0 107:14554.0 108:1292.0 109:2784.0 110:1941.0 112:81 |  |  |  | 207830 | 104734 | 334062 | 437933 | 343146 | 521859 | 705149 | 702747 | 260717 | 332991 | 288007 | 20754 | 250665 | 164256 | 274809 | 329931 | 276749 | 391353 | 317678 | 244851 | 249367 | 248660 | 307157 | 248233 | 251463 | 317993 | 236922 | 242416 | 80025 | 184960 | 283540 | 254878 | 125975 | 322311 | 339482 | 59105 | 266665 | 463062 | 263399 | 232202 | 61180 | 465021 | 120062 | 282193 | 21929.12781350708 | 345389 | 639676 | 365470 | 429834 | 348600 | 466503 | 285174 | 290986 | 329401 | 309177 | 231055 | 264877 | 358845.1666666667 | 31903.26724477314 | -76652.16666666669 | 0.09370600302206897 | 78.63920883240729 |  |  |  | 281189
241114 | 425547 | 238 | 241114 | 86:1101.0 87:13.0 88:555.0 89:1157.0 90:5.0 91:1.0 93:2.0 94:314.0 98:16122.0 99:939.0 100:1242.0 102:130.0 103:16.0 104:41.0 106:282.0 108:200.0 109:1.0 110:676.0 111:1794.0 112:351.0 114:412.0 116:36.0 117:1007.0 118:9.0 119:13.0 120:295.0 121:430.0 122 |  |  |  | 1576 | 1733 | 1582 | 1819 | 1846 | 1915 | 1653 | 1258 | 1854 | 1374 | 1841 | 1657 | 1283 | 1190 | 1323 | 1559 | 1310 | 1891 | 1830 | 1610 | 1430 | 1741 | 1333 | 1593 | 1339 | 1480 | 1592 | 2290 | 1403 | 764 | 2035 | 1174 | 1813 | 1462 | 1813 | 1390 | 1912 | 1115 | 1440 | 1937 | 2195 | 1750 | 981 | 1583.395348837209 | 48.5243273295471 | 2056 | 1915 | 2368 | 1783 | 1169 | 2129 | 1664 | 1791 | 2837 | 2216 | 1748 | 2502 | 2014.833333333333 | 126.6331395022725 | -431.437984496124 | 0.0003609831030866756 | 78.58691449270623 |  |  | *** | 241114
215682 | 433076 | 174 | 215682 | 85:30.0 86:439.0 87:47.0 88:16.0 89:69.0 93:17.0 95:17.0 96:5.0 97:24.0 98:27.0 99:2.0 100:278.0 101:12.0 102:156.0 103:25.0 104:5.0 106:1.0 107:4.0 109:1.0 112:1.0 113:30.0 114:9.0 115:4.0 116:19.0 117:5.0 122:3.0 126:11.0 128:11.0 130:82.0 131:2.0 140:1 |  |  |  | 30896 | 34838 | 41160 | 39751 | 41191 | 38033 | 26663 | 44473 | 29384 | 31162 | 32258 | 20377 | 32404 | 28889 | 14111 | 29213 | 8033 | 37330 | 35933 | 16527 | 33671 | 23438 | 30535 | 42452 | 14952 | 22046 | 36327 | 19749 | 30688 | 12845 | 34524 | 35279 | 32282 | 12262 | 25688 | 41632 | 35627 | 18840 | 26710 | 39295 | 33971 | 40288 | 22512 | 29726.48837209302 | 1423.222610671334 | 41030 | 38178 | 46210 | 25640 | 12481 | 41771 | 25522 | 47414 | 40246 | 61712 | 35497 | 38242 | 37828.58333333334 | 3601.792898363538 | -8102.094961240313 | 0.0169631024103418 | 78.58208199380016 |  |  | *** | 215682
239852 | 712000 | 373 | 239852 | 86:413.0 88:7.0 92:2.0 98:347.0 99:181.0 100:368.0 101:2.0 102:70.0 109:32.0 113:19.0 114:58.0 118:36.0 123:12.0 124:45.0 128:153.0 129:22.0 130:1.0 132:156.0 136:8.0 139:24.0 140:75.0 141:91.0 142:207.0 144:7.0 148:76.0 151:95.0 152:1.0 153:107.0 154:14. |  |  |  | 2304 | 3472 | 1345 | 2457 | 615 | 1565 | 971 | 1301 | 3690 | 834 | 1474 | 1213 | 773 | 1363 | 644 | 2353 | 490 | 2893 | 3811 | 1134 | 1473 | 1377 | 2101 | 525 | 1190 | 1892 | 2529 | 1536 | 869 | 394 | 1876 | 454 | 2839 | 398 | 1204 | 448 | 2411 | 438 | 1934 | 3063 | 857 | 1921 | 1270 | 1574.441860465116 | 143.2073023741989 | 3640 | 2902 | 2132 | 1737 | 327 | 2381 | 871 | 766 | 3215 | 1283 | 1574 | 3245 | 2006.083333333333 | 314.4578658082619 | -431.6414728682171 | 0.1795998238011242 | 78.48337276443067 |  |  |  | 239852
conduritol-beta-epoxide | 704220 | 318 | 208840 | 85:837.0 86:241.0 87:1067.0 88:393.0 89:783.0 90:67.0 91:508.0 92:185.0 93:255.0 94:127.0 95:352.0 96:333.0 97:498.0 98:274.0 99:1092.0 100:167.0 101:2528.0 102:825.0 103:13982.0 104:1459.0 105:1031.0 106:159.0 107:209.0 108:86.0 109:357.0 110:109.0 111:1 | 119054 |  |  | 241 | 378 | 775 | 467 | 939 | 441 | 1717 | 957 | 698 | 1942 | 1638 | 574 | 477 | 2962 | 589 | 2313 | 1171 | 2025 | 3742 | 3507 | 6301 | 742 | 300 | 560 | 998 | 2525 | 1253 | 3332 | 1376 | 1401 | 1066 | 1473 | 1586 | 3751 | 750 | 2200 | 2402 | 4291 | 1038 | 1262 | 4696 | 4393 | 942 | 1771.883720930233 | 215.2055398300314 | 1586 | 417 | 1065 | 3989 | 1724 | 3503 | 724 | 1072 | 661 | 2517 | 5323 | 4524 | 2258.75 | 484.6263184770366 | -486.8662790697674 | 0.315214240447473 | 78.44532245402247 |  |  |  | conduritol-beta-epoxide
221431 | 427636 | 174 | 221431 | 85:270.0 86:2571.0 87:475.0 88:320.0 89:276.0 90:144.0 92:88.0 93:36.0 96:34.0 97:65.0 98:166.0 99:73.0 100:1535.0 101:258.0 102:187.0 103:98.0 104:233.0 105:166.0 110:707.0 111:35.0 112:148.0 113:320.0 114:1.0 115:79.0 116:234.0 117:1366.0 118:364.0 119: |  |  |  | 14378 | 16346 | 19977 | 18691 | 18967 | 18315 | 12675 | 21025 | 14114 | 14897 | 15959 | 8907 | 16335 | 13142 | 6171 | 13914 | 3667 | 17941 | 17890 | 7192 | 15669 | 10805 | 15841 | 20724 | 7661 | 9914 | 17809 | 9281 | 13973 | 5813 | 16497 | 17124 | 15777 | 5704 | 12346 | 19318 | 17371 | 8524 | 13210 | 18658 | 15908 | 19120 | 10462 | 14139.81395348837 | 700.4640000344066 | 20303 | 18289 | 22150 | 12294 | 5709 | 19550 | 12126 | 22241 | 19889 | 28549 | 16726 | 18587 | 18034.41666666667 | 1692.077253315246 | -3894.602713178296 | 0.01794631799998629 | 78.40460944668779 |  |  | *** | 221431
234491 | 489261 | 226 | 234491 | 85:542.0 94:100.0 96:330.0 97:136.0 100:605.0 101:725.0 102:1297.0 104:4.0 106:66.0 107:401.0 108:692.0 109:205.0 110:378.0 113:431.0 114:278.0 116:91.0 122:149.0 123:48.0 124:369.0 126:3.0 127:897.0 129:641.0 130:2716.0 132:806.0 134:1565.0 136:1086.0 13 |  |  |  | 3930 | 7327 | 3241 | 4576 | 1370 | 4485 | 2805 | 8061 | 6344 | 2624 | 8938 | 1341 | 6214 | 1888 | 824 | 3852 | 418 | 7127 | 6051 | 1251 | 4310 | 1733 | 11067 | 6570 | 843 | 2882 | 7775 | 1747 | 1048 | 567 | 2034 | 4368 | 8420 | 618 | 2173 | 2314 | 5921 | 1078 | 4244 | 7542 | 2874 | 13530 | 2150 | 4150.581395348837 | 472.4351763235467 | 6420 | 7485 | 3268 | 2030 | 572 | 3789 | 2743 | 4679 | 13253 | 5598 | 6719 | 7000 | 5296.333333333333 | 956.0570727015341 | -1145.751937984496 | 0.2692948839974478 | 78.36707272985406 |  |  |  | 234491
281150 | 388815 | 112 | 281150 | 86:60.0 87:511.0 88:80.0 92:15.0 93:22.0 94:56.0 95:17.0 96:7.0 98:269.0 100:53.0 102:734.0 103:11.0 104:18.0 109:6.0 110:53.0 111:11.0 112:6544.0 113:1008.0 114:959.0 115:94.0 116:1174.0 124:39.0 126:130.0 127:46.0 129:243.0 130:485.0 131:2508.0 132:970. |  |  |  | 2985 | 5852 | 1973 | 3895 | 1649 | 3057 | 2037 | 5994 | 5445 | 2271 | 9239 | 1392 | 4763 | 2461 | 1313 | 2649 | 1176 | 6068 | 4849 | 1451 | 2656 | 2024 | 8349 | 6794 | 1391 | 1772 | 5534 | 1668 | 1071 | 1131 | 2479 | 3452 | 6730 | 1312 | 1531 | 2577 | 4744 | 1359 | 3413 | 5562 | 2061 | 11361 | 1653 | 3514.953488372093 | 373.1601539583266 | 5168 | 6762 | 4229 | 1755 | 1271 | 2697 | 2179 | 4504 | 9394 | 3574 | 6617 | 5729 | 4489.916666666667 | 691.042596791839 | -974.9631782945739 | 0.2256642292122533 | 78.28549501747455 |  |  |  | 281150
281148 | 783627 | 331 | 281148 | 85:510.0 86:913.0 87:51.0 88:1.0 89:86.0 92:17.0 95:1010.0 96:885.0 97:729.0 98:688.0 99:485.0 100:570.0 101:375.0 102:5.0 104:2.0 105:12.0 106:6.0 109:284.0 111:118.0 112:115.0 113:491.0 114:65.0 116:861.0 117:3831.0 119:217.0 122:5.0 123:271.0 124:277.0 |  |  |  | 1852 | 3124 | 1546 | 2087 | 862 | 1368 | 1451 | 2254 | 1777 | 1825 | 3403 | 408 | 3254 | 962 | 424 | 1159 | 466 | 3082 | 2293 | 654 | 1923 | 1371 | 4059 | 2024 | 589 | 1253 | 1713 | 1067 | 358 | 526 | 1099 | 2368 | 3900 | 505 | 945 | 1111 | 2393 | 724 | 2571 | 2816 | 1419 | 5617 | 885 | 1755.511627906977 | 176.0596470081757 | 1926 | 3096 | 1715 | 1157 | 347 | 1563 | 1503 | 1483 | 6512 | 2358 | 2310 | 2949 | 2243.25 | 445.5946337777366 | -487.7383720930231 | 0.2356055977839441 | 78.2575115527461 |  |  |  | 281148
217867 | 400245 | 154 | 217867 | 85:710.0 87:127.0 88:336.0 89:83.0 90:34.0 92:277.0 94:357.0 95:294.0 96:415.0 97:291.0 98:180.0 99:291.0 100:606.0 101:54.0 103:463.0 104:11.0 106:39.0 108:159.0 110:9082.0 111:399.0 112:279.0 113:239.0 114:621.0 115:5775.0 116:1198.0 117:799.0 118:190.0 |  |  |  | 14414 | 23766 | 12506 | 18661 | 8846 | 16263 | 11553 | 25650 | 23151 | 10896 | 33935 | 8818 | 22406 | 11724 | 6042 | 14199 | 5100 | 23693 | 21887 | 7250 | 13955 | 9765 | 32667 | 26008 | 7148 | 11268 | 24499 | 9181 | 7738 | 5512 | 10877 | 17167 | 25315 | 6396 | 9656 | 12272 | 21474 | 7157 | 17906 | 23329 | 11809 | 41380 | 8638 | 15857.60465116279 | 1311.775500460987 | 23001 | 27218 | 18361 | 11581 | 5634 | 14740 | 11809 | 20176 | 41514 | 17631 | 25306 | 26195 | 20263.83333333333 | 2710.816076480486 | -4406.228682170542 | 0.1298378370224286 | 78.25570014473794 |  |  |  | 217867
223708 | 354552 | 273 | 223708 | 85:49.0 86:1863.0 87:1824.0 88:2092.0 89:443.0 90:11.0 93:193.0 94:385.0 95:25.0 96:4917.0 97:430.0 98:2723.0 99:260.0 100:3757.0 101:844.0 103:2113.0 104:630.0 105:196.0 106:74.0 108:115.0 109:109.0 110:1855.0 111:678.0 112:873.0 113:712.0 114:4155.0 115 |  |  |  | 8025 | 13764 | 13437 | 9817 | 13643 | 11111 | 6279 | 15148 | 6658 | 5201 | 11375 | 7434 | 13149 | 11690 | 6202 | 5198 | 5805 | 11425 | 10651 | 4049 | 6975 | 5732 | 5977 | 15087 | 6787 | 3695 | 12701 | 9296 | 14007 | 4639 | 17809 | 12719 | 10279 | 6893 | 6628 | 21257 | 10269 | 4765 | 6648 | 9674 | 7439 | 11274 | 3661 | 9401.67441860465 | 619.5611892650759 | 16208 | 9103 | 24147 | 5959 | 5746 | 11846 | 5575 | 17911 | 11176 | 13283 | 9981 | 13468 | 12033.58333333333 | 1590.794676856238 | -2631.908914728683 | 0.07271292683548765 | 78.12863515526395 |  |  |  | 223708
223938 | 492335 | 184 | 223938 | 85:224.0 86:68.0 87:1529.0 88:171.0 90:35.0 94:301.0 100:41.0 101:34.0 109:48.0 110:1413.0 112:29.0 113:37.0 114:5282.0 115:939.0 116:43.0 124:18.0 130:77.0 134:273.0 135:86.0 136:201.0 138:78.0 139:6.0 143:2145.0 144:259.0 145:48.0 147:303.0 153:83.0 156 |  |  |  | 9600 | 19348 | 9643 | 12850 | 6921 | 11509 | 6954 | 22001 | 16947 | 7535 | 28765 | 6263 | 16736 | 7523 | 5585 | 10086 | 5298 | 19179 | 16986 | 5140 | 10315 | 7286 | 17637 | 23452 | 5883 | 6434 | 20589 | 5994 | 6677 | 4682 | 8979 | 12612 | 19599 | 6270 | 6611 | 9838 | 17688 | 5498 | 10876 | 18248 | 8919 | 34792 | 6534 | 12099.58139534884 | 1074.948299888706 | 19999 | 22747 | 15041 | 7885 | 6237 | 10248 | 7851 | 16442 | 25935 | 12784 | 22146 | 18590 | 15492.08333333333 | 1894.415035077124 | -3392.501937984496 | 0.1408531919790201 | 78.10170611021007 |  |  |  | 223938
213526 | 284610 | 201 | 213526 | 85:61.0 88:8.0 97:21.0 98:76.0 99:90.0 100:18.0 107:1.0 108:1.0 109:132.0 110:3.0 115:1.0 117:329.0 128:4.0 129:983.0 130:31.0 133:2.0 142:3.0 143:59.0 144:79.0 145:304.0 146:6.0 152:5.0 157:237.0 158:3.0 159:113.0 160:565.0 161:49.0 162:3.0 167:1.0 171:1 |  |  |  | 10131 | 10521 | 13494 | 15169 | 13554 | 14660 | 21029 | 18143 | 11441 | 23262 | 11944 | 18821 | 15709 | 14520 | 18182 | 15653 | 16139 | 14625 | 15784 | 16563 | 14934 | 14266 | 14321 | 16231 | 16348 | 13714 | 13851 | 15911 | 14413 | 15551 | 13252 | 16486 | 26029 | 24723 | 18259 | 19544 | 14121 | 20888 | 12016 | 11348 | 21821 | 11087 | 11276 | 15807.76744186047 | 567.6659590073515 | 15239 | 17461 | 19271 | 27394 | 21791 | 17844 | 17352 | 26685 | 19018 | 25899 | 15243 | 19708 | 20242.08333333333 | 1235.972966375525 | -4434.315891472866 | 0.0008627039157917822 | 78.09357950734879 |  |  | *** | 213526
226858 | 356536 | 241 | 226858 | 85:929.0 86:565.0 88:7803.0 89:24.0 90:265.0 91:162.0 93:726.0 94:383.0 95:559.0 97:603.0 98:1780.0 99:4460.0 100:555.0 101:737.0 102:690.0 104:908.0 106:6.0 108:27.0 109:292.0 110:857.0 111:465.0 112:527.0 113:2786.0 114:1303.0 115:892.0 119:44.0 120:28. |  |  |  | 5379 | 6764 | 2308 | 5294 | 982 | 3115 | 2572 | 3485 | 8707 | 2236 | 4142 | 2182 | 4777 | 2018 | 953 | 4828 | 903 | 6789 | 7397 | 2260 | 2877 | 2315 | 6833 | 2495 | 1785 | 4036 | 6306 | 2938 | 1129 | 885 | 2947 | 2832 | 8885 | 872 | 1748 | 1420 | 5282 | 1056 | 4609 | 7465 | 2123 | 10066 | 2326 | 3728.395348837209 | 376.1159477270143 | 7747 | 3901 | 3386 | 2985 | 692 | 5359 | 2468 | 3139 | 11184 | 3845 | 5088 | 7523 | 4776.416666666667 | 822.645404466529 | -1048.021317829458 | 0.2137198513842946 | 78.05841929278662 |  |  |  | 226858
227366 | 283401 | 159 | 227366 | 85:1516.0 86:26579.0 87:79.0 88:3168.0 89:25976.0 90:5434.0 91:5582.0 92:515.0 93:1269.0 94:1507.0 95:2167.0 96:3837.0 97:1396.0 98:14431.0 99:1732.0 103:7355.0 105:1391.0 106:238.0 107:5783.0 108:1725.0 109:1063.0 110:4010.0 111:435.0 112:9585.0 113:958. |  |  |  | 8338 | 16186 | 6876 | 10048 | 6223 | 9846 | 5223 | 15354 | 14058 | 6088 | 19707 | 5690 | 10210 | 4139 | 4874 | 7738 | 3667 | 13254 | 14091 | 3107 | 6776 | 4490 | 16633 | 14518 | 5264 | 5383 | 13311 | 5945 | 5916 | 4192 | 7778 | 6596 | 11475 | 5378 | 6078 | 11155 | 12965 | 5284 | 9400 | 14871 | 5555 | 21791 | 5766 | 9098.53488372093 | 714.6098737801897 | 13998 | 17087 | 9184 | 10463 | 4336 | 8240 | 6308 | 7363 | 24314 | 8912 | 14781 | 15415 | 11700.08333333333 | 1620.00760594143 | -2601.548449612405 | 0.1093112669342615 | 77.76470153677762 |  |  |  | 227366
succinic acid | 370518 | 247 | 199210 | 85:668.0 86:529.0 87:317.0 88:94.0 89:164.0 90:25.0 91:33.0 92:73.0 93:121.0 94:10.0 95:40.0 96:19.0 97:39.0 98:6.0 99:154.0 100:48.0 101:331.0 102:52.0 103:140.0 104:19.0 105:108.0 106:28.0 107:63.0 108:6.0 109:1.0 110:18.0 111:15.0 112:12.0 113:291.0 11 | 1110 | C00042 |  | 3619 | 6086 | 3356 | 2137 | 3306 | 5010 | 3596 | 5252 | 5992 | 2732 | 8958 | 3406 | 2941 | 3364 | 3209 | 4867 | 2331 | 5705 | 3164 | 3394 | 5299 | 4944 | 3975 | 9350 | 2373 | 3318 | 8609 | 2687 | 4267 | 2494 | 3900 | 2691 | 8557 | 2672 | 4551 | 4175 | 5690 | 5062 | 1765 | 3994 | 5116 | 11984 | 2317 | 4470.116279069767 | 335.5073400152373 | 6489 | 7666 | 5220 | 6070 | 5293 | 3188 | 3439 | 3715 | 11353 | 5935 | 6290 | 4628 | 5773.833333333333 | 638.5745113654763 | -1303.717054263566 | 0.07549677031313803 | 77.42025134780073 |  |  |  | succinic acid
215355 | 338105 | 188 | 215355 | 85:19.0 86:21.0 88:8.0 90:40.0 91:76.0 93:46.0 94:6.0 96:20.0 100:2585.0 101:226.0 102:62.0 105:28.0 107:27.0 108:1.0 109:4.0 111:40.0 113:71.0 114:539.0 115:135.0 116:4.0 119:81.0 121:1.0 122:31.0 125:3.0 126:7.0 127:22.0 129:83.0 130:349.0 131:91.0 132: |  |  |  | 18245 | 34172 | 15447 | 22236 | 10449 | 20571 | 15199 | 35529 | 32657 | 14563 | 49690 | 10699 | 29013 | 12750 | 8236 | 18751 | 6591 | 35430 | 32813 | 9318 | 18429 | 11906 | 30400 | 37176 | 8879 | 15573 | 34560 | 10039 | 10544 | 7053 | 16113 | 21762 | 34661 | 8694 | 13451 | 16691 | 30348 | 8944 | 19292 | 35522 | 17714 | 57024 | 10715 | 21112.76744186047 | 1851.387267368232 | 33051 | 38880 | 26664 | 16023 | 7721 | 20391 | 14671 | 27631 | 49993 | 20636 | 36345 | 36309 | 27359.58333333333 | 3489.954196665513 | -6246.815891472866 | 0.1206495354172746 | 77.16772285832984 |  |  |  | 215355
221562 | 273779 | 98 | 221562 | 85:990.0 86:537.0 88:502.0 89:593.0 91:120.0 92:14.0 94:78.0 95:123.0 96:268.0 97:92.0 98:17806.0 99:1345.0 100:2596.0 102:194.0 103:283.0 104:314.0 105:19.0 107:310.0 109:37.0 110:274.0 111:55.0 112:27.0 114:473.0 115:94.0 116:49.0 117:744.0 118:324.0 11 |  |  |  | 337989 | 381150 | 190745 | 306006 | 175324 | 315909 | 144156 | 247285 | 287303 | 161491 | 383726 | 164598 | 372179 | 225303 | 130555 | 252545 | 83158 | 388803 | 291451 | 118259 | 210585 | 142114 | 375048 | 358624 | 153245 | 162058 | 395901 | 225962 | 154210 | 102881 | 267232 | 368156 | 289715 | 127837 | 124953 | 299222 | 382928 | 143426 | 279008 | 302131 | 167984 | 613354 | 183268 | 250878.5348837209 | 16937.40317853596 | 349085 | 228108 | 399336 | 222662 | 86449 | 268482 | 184272 | 344703 | 669460 | 356171 | 423484 | 369299 | 325125.9166666667 | 42421.5968782873 | -74247.38178294577 | 0.06226528751160629 | 77.16349943918269 |  |  |  | 221562
228309 | 595001 | 156 | 228309 | 86:2079.0 88:1534.0 89:375.0 90:208.0 91:1306.0 92:16.0 93:306.0 94:783.0 95:298.0 96:2415.0 97:535.0 98:2660.0 99:211.0 100:605.0 102:43.0 105:116.0 106:134.0 107:502.0 108:630.0 110:194.0 111:22.0 112:468.0 113:292.0 114:5226.0 115:421.0 121:25.0 122:91 |  |  |  | 8886 | 5232 | 1658 | 9211 | 1476 | 1612 | 8965 | 1731 | 1017 | 1897 | 6192 | 8711 | 6185 | 6197 | 9182 | 7945 | 6513 | 6860 | 2151 | 8878 | 1298 | 9701 | 5052 | 6894 | 10474 | 1291 | 2004 | 9856 | 7725 | 7630 | 902 | 6145 | 4710 | 8683 | 1423 | 6881 | 6356 | 9818 | 5964 | 9642 | 7166 | 1946 | 598 | 5643.209302325581 | 490.3196525093818 | 5340 | 7062 | 2340 | 9967 | 6907 | 8649 | 8845 | 8363 | 8122 | 9264 | 5007 | 7954 | 7318.333333333333 | 623.519389668781 | -1675.124031007752 | 0.09589778551163797 | 77.11058030961851 |  |  |  | 228309
226903 | 833661 | 313 | 226903 | 85:109.0 87:2.0 89:71.0 91:18.0 93:286.0 94:265.0 95:188.0 96:352.0 97:60.0 99:41.0 103:336.0 108:10.0 110:514.0 111:11.0 112:1.0 114:41.0 116:278.0 117:751.0 118:167.0 121:118.0 122:66.0 123:72.0 124:980.0 125:31.0 128:101.0 129:126.0 130:233.0 131:236.0 |  |  |  | 3639 | 1292 | 6290 | 6271 | 5274 | 5617 | 9718 | 4647 | 764 | 11960 | 4740 | 7684 | 12322 | 2053 | 6710 | 2315 | 2815 | 3503 | 2173 | 6824 | 3881 | 3026 | 1315 | 4542 | 7590 | 2840 | 2397 | 8123 | 2074 | 4193 | 1968 | 11498 | 6168 | 4191 | 1829 | 12908 | 2521 | 6102 | 1824 | 1379 | 12622 | 5315 | 1134 | 5024.441860465116 | 521.8880232980378 | 1149 | 4550 | 6172 | 4870 | 3105 | 3148 | 14697 | 10418 | 3407 | 19714 | 3897 | 3105 | 6519.333333333333 | 1611.928171257308 | -1494.891472868217 | 0.2538121308469962 | 77.06987207994351 |  |  |  | 226903
200624 | 421877 | 373 | 200624 | 87:6.0 88:3.0 89:18.0 90:25.0 91:453.0 93:16.0 97:32.0 98:1.0 99:10.0 100:35.0 101:27.0 103:496.0 105:57.0 106:32.0 107:192.0 108:61.0 110:233.0 111:13.0 112:18.0 113:19.0 115:37.0 116:44.0 117:81.0 119:6.0 121:4.0 122:3.0 123:2.0 126:62.0 127:63.0 129:7. |  |  |  | 19508 | 41168 | 20137 | 21999 | 11577 | 11804 | 24205 | 73295 | 43404 | 20360 | 98431 | 12926 | 46102 | 17947 | 10069 | 22860 | 6534 | 37757 | 55090 | 14946 | 20319 | 19362 | 100961 | 39775 | 11613 | 17609 | 54603 | 11808 | 6159 | 9537 | 19748 | 25880 | 91531 | 9213 | 18136 | 23551 | 34325 | 10003 | 36085 | 54733 | 31377 | 102924 | 9107 | 31825.06976744186 | 4041.397836691341 | 49147 | 71561 | 41978 | 18931 | 5483 | 20543 | 16213 | 37921 | 84720 | 24617 | 76589 | 48138 | 41320.08333333334 | 7430.642401017084 | -9495.013565891477 | 0.2746136631873374 | 77.02082667816947 |  |  |  | 200624
223541 | 365519 | 98 | 223541 | 87:420.0 89:299.0 92:61.0 94:157.0 96:189.0 97:568.0 98:54185.0 99:3156.0 100:1308.0 101:1266.0 102:608.0 103:1590.0 105:261.0 107:410.0 109:535.0 111:7.0 112:650.0 113:172.0 115:2.0 116:226.0 117:2025.0 119:1854.0 120:347.0 121:5.0 124:521.0 126:98.0 127 |  |  |  | 32979 | 48922 | 26753 | 36820 | 20725 | 34640 | 16929 | 41517 | 38786 | 18499 | 58636 | 18874 | 38161 | 30609 | 15051 | 28728 | 10985 | 47978 | 41254 | 15979 | 28507 | 19413 | 50641 | 54879 | 16247 | 19712 | 50607 | 20757 | 16954 | 12220 | 29286 | 31496 | 34663 | 14370 | 17444 | 26989 | 45826 | 16033 | 34769 | 40084 | 23678 | 73150 | 17407 | 30650.16279069768 | 2205.760776572673 | 48335 | 37994 | 47629 | 25580 | 11257 | 33962 | 18858 | 37837 | 79098 | 34116 | 51111 | 52164 | 39828.41666666666 | 5140.638383682803 | -9178.253875968989 | 0.07029427844501572 | 76.95551406729535 |  |  |  | 223541
213961 | 897509 | 91 | 213961 | 85:3.0 86:13.0 88:13.0 89:34.0 90:3.0 91:1981.0 92:349.0 93:833.0 94:184.0 95:258.0 96:10.0 97:8.0 98:4.0 100:5.0 101:42.0 102:8.0 103:184.0 104:77.0 105:563.0 106:389.0 107:199.0 108:287.0 109:71.0 110:7.0 111:2.0 114:7.0 115:90.0 116:186.0 117:895.0 118 |  |  |  | 7316 | 5874 | 9608 | 9087 | 6429 | 13232 | 15702 | 8707 | 9985 | 13045 | 4850 | 9965 | 6636 | 15389 | 20929 | 20217 | 15625 | 14971 | 19866 | 8855 | 13270 | 5336 | 6360 | 7285 | 13508 | 8603 | 7577 | 8135 | 13643 | 17078 | 15068 | 8064 | 9213 | 16255 | 13880 | 14738 | 6230 | 24410 | 9167 | 4869 | 25747 | 5762 | 15744 | 11772.79069767442 | 814.1091766149424 | 12630 | 10301 | 14476 | 19489 | 21623 | 17552 | 5924 | 16116 | 7853 | 23751 | 14436 | 20486 | 15386.41666666667 | 1601.13915630514 | -3613.625968992248 | 0.0446773321294447 | 76.51418099952502 |  |  | *** | 213961
281109 | 628352 | 98 | 281109 | 91:2924.0 92:581.0 93:2562.0 94:1689.0 95:95.0 96:584.0 98:47276.0 99:3225.0 100:712.0 101:82.0 102:207.0 104:88.0 105:361.0 106:334.0 107:973.0 108:149.0 109:96.0 110:2662.0 111:33.0 112:248.0 113:316.0 114:269.0 115:212.0 116:718.0 119:451.0 120:3936.0 |  |  |  | 32927 | 71061 | 30346 | 40181 | 15823 | 34452 | 19179 | 72446 | 63376 | 21163 | 112048 | 12583 | 56290 | 22890 | 9559 | 31502 | 6497 | 77523 | 65609 | 10773 | 32448 | 16841 | 89472 | 88021 | 13458 | 17697 | 77857 | 15499 | 15382 | 7246 | 32254 | 45164 | 64912 | 7794 | 16176 | 32139 | 60856 | 8600 | 36837 | 68656 | 21687 | 150832 | 18474 | 40570.46511627907 | 4913.790876819771 | 61467 | 88162 | 51196 | 20097 | 5739 | 31638 | 21817 | 46072 | 105683 | 32702 | 91051 | 82884 | 53209 | 9387.349310415459 | -12638.53488372093 | 0.235821353572353 | 76.24737378315524 |  |  |  | 281109
223492 | 384421 | 142 | 223492 | 89:16.0 90:61.0 92:418.0 93:46.0 94:11.0 96:62.0 99:53.0 102:1651.0 104:82.0 105:166.0 109:583.0 110:1186.0 111:141.0 113:640.0 115:1084.0 116:188.0 117:4393.0 119:67.0 120:163.0 124:773.0 125:5961.0 126:220.0 128:4043.0 129:411.0 130:2577.0 131:902.0 132 |  |  |  | 55597 | 89931 | 45130 | 67068 | 39383 | 58470 | 40909 | 105893 | 80379 | 42397 | 134023 | 30603 | 78674 | 50879 | 25021 | 52884 | 21285 | 89787 | 82346 | 26083 | 50517 | 36114 | 125872 | 105233 | 28263 | 35935 | 88148 | 32925 | 36066 | 21622 | 54030 | 65737 | 88259 | 25552 | 37096 | 55838 | 80042 | 26104 | 69956 | 85665 | 44541 | 141626 | 31321 | 60074.51162790698 | 4806.685857517574 | 85748 | 103552 | 91946 | 45166 | 24245 | 58023 | 43050 | 82059 | 145510 | 66417 | 104577 | 97943 | 79019.66666666667 | 9651.309669593235 | -18945.15503875969 | 0.0747817628970319 | 76.02475960993715 |  |  |  | 223492
226860 | 690521 | 139 | 226860 | 86:630.0 87:127.0 91:34.0 92:3.0 94:244.0 95:549.0 97:23.0 98:14.0 99:11.0 100:230.0 101:110.0 102:107.0 103:595.0 105:181.0 107:441.0 109:79.0 110:507.0 111:1432.0 112:474.0 113:4.0 114:58.0 115:20.0 116:124.0 117:335.0 118:50.0 120:12.0 123:3.0 124:176. |  |  |  | 1790 | 4539 | 2060 | 2551 | 1127 | 2005 | 2085 | 5115 | 3682 | 2190 | 7797 | 928 | 10265 | 1234 | 559 | 1739 | 431 | 4246 | 3139 | 790 | 2476 | 1638 | 7889 | 4397 | 831 | 1924 | 4695 | 1354 | 476 | 534 | 1355 | 5118 | 9305 | 447 | 1439 | 2375 | 3491 | 934 | 4973 | 4476 | 3106 | 14489 | 1144 | 3189.255813953489 | 454.0448727867123 | 3309 | 4808 | 3636 | 1290 | 439 | 1830 | 3018 | 4880 | 12048 | 4047 | 5416 | 5697 | 4201.5 | 856.8150900193393 | -1012.244186046511 | 0.3021320533495779 | 75.90755239684609 |  |  |  | 226860
210891 | 265181 | 130 | 210891 | 85:353.0 86:517.0 87:1.0 89:50.0 91:289.0 92:72.0 96:16.0 98:23.0 99:21.0 100:58.0 102:178.0 111:52.0 112:13.0 114:90.0 116:29.0 117:302.0 118:16.0 119:447.0 120:19.0 121:2.0 126:10.0 128:11.0 130:2132.0 131:310.0 132:59.0 134:152.0 142:9.0 144:529.0 145: |  |  |  | 211724 | 240063 | 286321 | 423345 | 294706 | 304390 | 250514 | 342602 | 310534 | 259706 | 450175 | 241330 | 298799 | 221965 | 215490 | 143852 | 202045 | 362440 | 298133 | 208725 | 155878 | 294095 | 422661 | 394721 | 217420 | 235118 | 312240 | 285855 | 216408 | 188453 | 295965 | 289397 | 297986 | 236370 | 269950 | 228299 | 296438 | 261417 | 217088 | 344258 | 268806 | 443551 | 119724 | 275789.6976744186 | 11607.71814888998 | 379576 | 389433 | 480049 | 306102 | 241828 | 286900 | 230403 | 364822 | 505370 | 481412 | 349464 | 351923 | 363940.1666666667 | 26192.23813079947 | -88150.46899224806 | 0.001280709982330294 | 75.77885678307523 |  |  | *** | 210891
217784 | 431379 | 239 | 217784 | 85:355.0 88:616.0 89:1016.0 90:939.0 91:1042.0 92:1851.0 93:3244.0 94:1736.0 95:1754.0 96:2667.0 97:7403.0 98:1590.0 99:174.0 100:2392.0 101:798.0 102:268.0 103:604.0 104:1448.0 105:521.0 106:972.0 107:1872.0 108:1687.0 109:10465.0 110:5142.0 111:709.0 11 |  |  |  | 23417 | 38644 | 27988 | 29630 | 19865 | 27677 | 20063 | 51395 | 36659 | 23136 | 59791 | 18947 | 50278 | 17842 | 17058 | 24344 | 14086 | 39187 | 32191 | 16095 | 23905 | 18481 | 63226 | 49029 | 16941 | 21509 | 57186 | 21152 | 14561 | 13802 | 23043 | 38590 | 44483 | 17347 | 19478 | 30847 | 36010 | 16484 | 26326 | 32393 | 25573 | 76617 | 15271 | 30012.72093023256 | 2309.173759635207 | 43731 | 42085 | 39591 | 24042 | 16570 | 23737 | 24340 | 41977 | 77626 | 32908 | 50939 | 58566 | 39676 | 4973.259962189304 | -9663.279069767443 | 0.06320641497487313 | 75.64452296157012 |  |  |  | 217784
228203 | 457545 | 152 | 228203 | 85:2097.0 87:582.0 88:369.0 89:2210.0 90:194.0 91:4512.0 92:3621.0 93:1173.0 94:2310.0 95:1502.0 96:4968.0 97:1258.0 98:1794.0 99:576.0 102:141.0 103:1807.0 104:826.0 105:468.0 106:389.0 107:477.0 108:5130.0 109:2183.0 110:5089.0 111:13560.0 112:871.0 114 |  |  |  | 500 | 900 | 600 | 544 | 323 | 686 | 631 | 932 | 830 | 287 | 1627 | 576 | 733 | 238 | 410 | 653 | 398 | 751 | 720 | 508 | 393 | 350 | 511 | 1098 | 527 | 518 | 985 | 484 | 400 | 412 | 660 | 686 | 1218 | 432 | 279 | 667 | 821 | 466 | 284 | 680 | 574 | 1829 | 399 | 640 | 50.32303180904388 | 1071 | 1074 | 1469 | 712 | 420 | 470 | 353 | 777 | 1397 | 324 | 1251 | 839 | 846.4166666666666 | 117.4060848620133 | -206.4166666666666 | 0.07434269705703998 | 75.61287781825342 |  |  |  | 228203
226916 | 510239 | 224 | 226916 | 85:197.0 86:464.0 88:103.0 90:111.0 92:9.0 93:172.0 94:288.0 98:541.0 99:292.0 100:75.0 101:191.0 107:562.0 109:169.0 110:237.0 114:36.0 118:47.0 120:89.0 124:16.0 134:759.0 135:146.0 137:51.0 140:1.0 143:13.0 146:59.0 150:40.0 152:141.0 155:3.0 156:152.0 |  |  |  | 6380 | 19552 | 4977 | 8076 | 1183 | 7528 | 2866 | 18007 | 15355 | 3003 | 24990 | 726 | 13429 | 3073 | 506 | 6064 | 343 | 17631 | 15151 | 984 | 6274 | 1864 | 26773 | 18225 | 549 | 2979 | 19221 | 1174 | 1456 | 372 | 4184 | 8687 | 21455 | 428 | 2004 | 4156 | 13689 | 497 | 9099 | 17615 | 2734 | 37197 | 3179 | 8689.186046511628 | 1357.021849637667 | 16060 | 18007 | 7772 | 2537 | 329 | 6192 | 3570 | 9643 | 32488 | 6353 | 18806 | 17053 | 11567.5 | 2651.206099175059 | -2878.313953488372 | 0.3295341433922105 | 75.11723403078996 |  |  |  | 226916
226849 | 541089 | 388 | 226849 | 85:247.0 87:245.0 88:214.0 90:95.0 91:423.0 92:229.0 93:319.0 94:2107.0 95:1555.0 96:2524.0 97:593.0 99:121.0 101:311.0 102:465.0 103:293.0 104:136.0 106:79.0 107:16.0 108:2054.0 109:1138.0 110:784.0 111:31.0 112:69.0 114:294.0 115:12.0 116:1106.0 117:518 |  |  |  | 9667 | 14846 | 7525 | 11868 | 2587 | 11695 | 5374 | 16025 | 13672 | 5945 | 16711 | 2203 | 14230 | 4288 | 800 | 9266 | 407 | 15252 | 13858 | 1939 | 9983 | 4204 | 21394 | 13950 | 1530 | 5725 | 16671 | 2583 | 2433 | 673 | 4665 | 10286 | 15948 | 689 | 4023 | 5483 | 13964 | 1126 | 11781 | 16993 | 5214 | 24433 | 5288 | 8772.023255813954 | 962.8559110916968 | 12815 | 16374 | 8119 | 5079 | 382 | 9368 | 6279 | 11582 | 28954 | 11710 | 14188 | 15682 | 11711 | 2064.183836069576 | -2938.976744186046 | 0.1716434197665582 | 74.90413505092609 |  |  |  | 226849
223499 | 675563 | 285 | 223499 | 85:13.0 86:288.0 87:1959.0 88:466.0 89:77.0 91:6.0 93:72.0 94:579.0 95:103.0 96:1814.0 97:262.0 98:1555.0 99:54.0 100:744.0 101:259.0 102:908.0 107:415.0 108:458.0 109:56.0 110:287.0 111:47.0 112:105.0 113:67.0 114:896.0 115:569.0 116:24.0 117:361.0 120:7 |  |  |  | 2253 | 5463 | 2195 | 3336 | 1009 | 2771 | 1117 | 6166 | 4102 | 1307 | 6679 | 902 | 3982 | 1759 | 645 | 2153 | 564 | 5283 | 4302 | 671 | 2461 | 1116 | 5167 | 6623 | 801 | 1167 | 5726 | 945 | 1014 | 534 | 2308 | 3275 | 4625 | 328 | 1071 | 2556 | 4227 | 632 | 3045 | 5030 | 1524 | 8152 | 1314 | 2797.674418604651 | 316.4479346938699 | 5088 | 6000 | 4028 | 1187 | 582 | 2357 | 1168 | 3890 | 7011 | 2429 | 5951 | 5135 | 3735.5 | 623.4147106983854 | -937.8255813953488 | 0.1756843135247242 | 74.89424223275736 |  |  |  | 223499
224881 | 486165 | 309 | 224881 | 85:4925.0 86:5062.0 88:1022.0 89:1617.0 90:1040.0 91:888.0 92:752.0 93:2058.0 94:16199.0 95:4822.0 96:20834.0 97:2624.0 98:4179.0 99:2895.0 100:4121.0 101:1225.0 102:1095.0 103:2834.0 104:1073.0 105:394.0 106:303.0 107:683.0 108:12837.0 109:6219.0 110:164 |  |  |  | 9831 | 18317 | 8364 | 11449 | 4153 | 9981 | 5963 | 18287 | 15798 | 6070 | 26106 | 3826 | 13576 | 5950 | 2626 | 11084 | 2050 | 18579 | 18848 | 3111 | 9323 | 4784 | 32634 | 22006 | 3226 | 5766 | 19384 | 4354 | 4039 | 2319 | 7503 | 11565 | 17820 | 2587 | 4419 | 8506 | 16134 | 3263 | 12962 | 16105 | 5991 | 33294 | 6483 | 10893.86046511628 | 1216.652380981406 | 17332 | 23927 | 12351 | 6290 | 2409 | 8965 | 7543 | 15108 | 28861 | 12563 | 20270 | 19065 | 14557 | 2233.682073631027 | -3663.139534883721 | 0.1628872055335814 | 74.83588971021693 |  |  |  | 224881
240018 | 904978 | 290 | 240018 | 85:10.0 86:88.0 88:149.0 89:11.0 94:126.0 95:51.0 96:91.0 97:409.0 98:18.0 99:266.0 100:88.0 101:241.0 102:77.0 103:2671.0 104:43.0 105:69.0 107:79.0 108:281.0 111:82.0 112:58.0 113:97.0 114:175.0 116:347.0 117:515.0 118:36.0 120:42.0 123:46.0 124:91.0 12 |  |  |  | 1859 | 2391 | 1459 | 2006 | 624 | 1825 | 920 | 2083 | 2850 | 771 | 3274 | 449 | 2559 | 1095 | 285 | 1644 | 216 | 2811 | 2658 | 454 | 1408 | 809 | 2570 | 2524 | 274 | 1030 | 3026 | 602 | 758 | 266 | 1470 | 1830 | 3357 | 263 | 666 | 1535 | 2660 | 313 | 1747 | 2868 | 763 | 4565 | 698 | 1586.860465116279 | 163.4695848904911 | 2507 | 2894 | 2917 | 911 | 249 | 1736 | 1120 | 2000 | 4446 | 1147 | 2614 | 3092 | 2136.083333333333 | 337.6719866687316 | -549.2228682170544 | 0.1297103129138689 | 74.28832201223169 |  |  |  | 240018
arachidonic acid | 833292 | 91 | 221144 | 85:302.0 87:36.0 88:18.0 89:14.0 90:64.0 91:7130.0 92:1328.0 93:3285.0 94:1469.0 95:1116.0 96:226.0 97:62.0 98:110.0 99:144.0 100:12.0 101:128.0 103:101.0 104:326.0 105:2157.0 106:2551.0 107:1496.0 109:343.0 110:144.0 112:84.0 114:8.0 116:548.0 117:3400.0 | 444899 | C00219 |  | 11679 | 12924 | 20525 | 25591 | 18394 | 20574 | 29840 | 24021 | 19014 | 48512 | 20376 | 27065 | 24820 | 26509 | 32556 | 27001 | 28096 | 25684 | 34722 | 30686 | 20053 | 17760 | 23339 | 26084 | 27474 | 22820 | 17851 | 24350 | 22198 | 29288 | 33112 | 22978 | 22918 | 46865 | 30633 | 36109 | 16162 | 50802 | 19567 | 12075 | 47738 | 17372 | 24348 | 26057.79069767442 | 1410.041494075459 | 28269 | 28858 | 36018 | 43525 | 58084 | 32276 | 14378 | 36384 | 18360 | 45515 | 29486 | 50326 | 35123.25 | 3668.848238321304 | -9065.45930232558 | 0.007936662125061968 | 74.18957726769139 |  |  | *** | arachidonic acid
229105 | 297744 | 100 | 229105 | 85:17074.0 86:655197.0 87:56222.0 88:22074.0 89:2002.0 90:498.0 91:8.0 92:178.0 94:13.0 95:683.0 96:930.0 97:1286.0 98:4302.0 99:12092.0 100:366044.0 101:38853.0 102:27610.0 103:7097.0 104:1790.0 105:234.0 109:259.0 111:1327.0 112:4464.0 113:13617.0 114:1 |  |  |  | 19676 | 27955 | 23351 | 21143 | 13357 | 20586 | 13264 | 52884 | 21064 | 19026 | 27922 | 8826 | 20905 | 31700 | 7471 | 14055 | 4383 | 30835 | 28698 | 7343 | 17206 | 10891 | 28254 | 40873 | 9889 | 9868 | 34550 | 6459 | 13485 | 6741 | 16782 | 21903 | 24632 | 6344 | 11812 | 21207 | 27472 | 8501 | 21195 | 30072 | 14622 | 34652 | 8720 | 19548.23255813953 | 1616.669612002161 | 36049 | 37248 | 37985 | 12949 | 6096 | 18702 | 12087 | 29009 | 40665 | 29546 | 28054 | 28044 | 26369.5 | 3289.007438699125 | -6821.267441860466 | 0.05772350090027079 | 74.13198034903785 |  |  |  | 229105
231590 | 321781 | 114 | 231590 | 85:1057.0 86:344.0 87:6439.0 89:8883.0 90:273.0 91:114.0 92:17.0 93:160.0 94:65.0 95:47.0 97:236.0 98:1499.0 100:1244.0 101:2687.0 102:7210.0 103:27719.0 104:2751.0 105:2100.0 106:68.0 107:52.0 108:271.0 110:2355.0 111:51.0 112:509.0 113:83.0 114:16467.0 |  |  |  | 8600 | 20306 | 9476 | 8496 | 5866 | 7511 | 8431 | 18014 | 16554 | 6847 | 25742 | 5671 | 11226 | 8547 | 5392 | 5639 | 4779 | 8943 | 14051 | 4284 | 7703 | 5817 | 22633 | 15893 | 5608 | 7344 | 17568 | 6861 | 6065 | 3797 | 6287 | 9324 | 27642 | 5598 | 5191 | 7238 | 7398 | 5005 | 11722 | 11948 | 7653 | 20810 | 4593 | 10094.72093023256 | 932.7593469127693 | 31434 | 15356 | 11854 | 7231 | 8780 | 9138 | 8008 | 13812 | 21049 | 10107 | 15563 | 11357 | 13640.75 | 1976.678730832161 | -3546.029069767443 | 0.08929879756074817 | 74.0041488205015 |  |  |  | 231590
226864 | 691552 | 211 | 226864 | 85:209.0 86:248.0 87:71.0 90:170.0 95:765.0 98:18.0 99:83.0 100:555.0 101:224.0 102:70.0 103:575.0 107:197.0 109:151.0 110:148.0 111:51.0 113:189.0 122:11.0 123:1.0 126:8.0 128:127.0 129:159.0 130:83.0 138:131.0 140:69.0 141:47.0 142:122.0 145:202.0 146:2 |  |  |  | 2656 | 4414 | 1416 | 3121 | 740 | 2250 | 1255 | 3532 | 5327 | 1646 | 3553 | 1266 | 5502 | 1123 | 1076 | 2745 | 487 | 4123 | 4988 | 1266 | 1695 | 1456 | 4603 | 2681 | 912 | 2034 | 3735 | 1456 | 756 | 607 | 2222 | 3267 | 4879 | 682 | 1277 | 1921 | 3132 | 826 | 2370 | 4089 | 1584 | 5290 | 1712 | 2457.488372093023 | 228.5239781882177 | 5918 | 4202 | 2316 | 1716 | 422 | 2925 | 1788 | 3022 | 5270 | 3266 | 3688 | 5356 | 3324.083333333333 | 478.1954155251731 | -866.5949612403101 | 0.08911513581445608 | 73.92980637548267 |  |  |  | 226864
glycine | 364262 | 174 | 227957 | 85:106.0 86:18631.0 87:1854.0 88:801.0 91:1.0 92:57.0 99:116.0 100:9522.0 101:1976.0 102:1247.0 104:2.0 105:236.0 106:36.0 107:610.0 110:120.0 111:82.0 113:277.0 114:297.0 115:275.0 116:491.0 117:2457.0 118:465.0 119:450.0 120:26.0 122:5.0 124:68.0 125:11 | 750 | C00037 |  | 144856 | 283016 | 293464 | 247133 | 240060 | 271282 | 141965 | 365998 | 279191 | 228665 | 243431 | 163640 | 298449 | 210389 | 88952 | 205284 | 59428 | 271208 | 337960 | 120805 | 499128 | 214453 | 184472 | 395775 | 80583 | 182648 | 258671 | 229039 | 323457 | 107646 | 210238 | 356288 | 375472 | 63622 | 208153 | 306956 | 359995 | 85168 | 169106 | 235519 | 362565 | 453627 | 147190 | 239649.9302325581 | 16034.60345501139 | 321004 | 416415 | 303031 | 206838 | 88085 | 222930 | 124783 | 451198 | 384925 | 416168 | 391666 | 585848 | 326074.25 | 41719.85812828608 | -86424.31976744186 | 0.02462412275744935 | 73.49550914632424 |  |  | *** | glycine
223973 | 1028825 | 243 | 223973 | 85:286.0 88:129.0 95:141.0 96:165.0 97:270.0 98:191.0 99:142.0 100:51.0 101:819.0 102:39.0 103:376.0 106:141.0 110:4.0 111:88.0 113:203.0 115:182.0 116:136.0 117:132.0 120:54.0 121:98.0 123:66.0 124:20.0 125:71.0 129:4677.0 130:713.0 131:483.0 132:39.0 13 |  |  |  | 920 | 4157 | 3457 | 5575 | 4935 | 3854 | 3568 | 5993 | 1682 | 5128 | 4294 | 3452 | 3267 | 4370 | 11559 | 5924 | 5420 | 5445 | 11689 | 5716 | 3035 | 6168 | 4589 | 3223 | 5520 | 7175 | 1502 | 3459 | 3808 | 4965 | 8413 | 3512 | 3966 | 9266 | 5602 | 7684 | 5204 | 6428 | 4142 | 1415 | 5788 | 4144 | 4922 | 4984.53488372093 | 347.8685969452884 | 7155 | 7128 | 15219 | 7825 | 5714 | 7466 | 2796 | 4796 | 4157 | 4886 | 5454 | 8824 | 6785 | 914.4845211341412 | -1800.46511627907 | 0.03117860223090118 | 73.46403660605645 |  |  | *** | 223973
241403 | 468354 | 212 | 241403 | 85:587.0 86:128.0 88:986.0 89:822.0 90:155.0 92:76.0 94:618.0 95:166.0 96:4166.0 97:420.0 98:449.0 99:405.0 100:973.0 101:198.0 102:133.0 103:800.0 105:5.0 106:46.0 108:562.0 109:377.0 111:836.0 112:157.0 113:66.0 114:217.0 115:124.0 116:1981.0 118:280.0 |  |  |  | 1823 | 3866 | 1208 | 2453 | 637 | 1584 | 1098 | 1554 | 2798 | 1104 | 6239 | 515 | 3446 | 735 | 354 | 1606 | 208 | 3966 | 2940 | 586 | 1549 | 899 | 6270 | 4786 | 401 | 406 | 3958 | 546 | 469 | 311 | 1034 | 2165 | 3736 | 406 | 514 | 892 | 129 | 535 | 1329 | 3109 | 943 | 5452 | 891 | 1847.674418604651 | 257.4624201865956 | 3753 | 3229 | 2647 | 980 | 259 | 1783 | 1160 | 2560 |  | 2015 | 4681 | 4600 | 2515.181818181818 | 438.6785905251406 | -667.5073995771668 | 0.2354910594205912 | 73.46086892200515 |  |  |  | 241403
224798 | 464635 | 329 | 224798 | 86:473.0 90:134.0 91:88.0 92:102.0 93:2029.0 94:3496.0 95:1106.0 96:3933.0 97:586.0 98:1453.0 99:184.0 100:1270.0 101:1158.0 104:136.0 105:36.0 107:1446.0 108:2773.0 109:1255.0 110:3941.0 111:175.0 112:940.0 114:439.0 116:716.0 118:20.0 121:75.0 122:68.0 |  |  |  | 1945 | 2842 | 1226 | 1570 | 575 | 1835 | 1015 | 2503 | 3233 | 1100 | 4887 | 372 | 1582 | 522 | 340 | 1477 | 490 | 3321 | 2771 | 521 | 1428 | 855 | 6197 | 3436 | 408 | 1062 | 3554 | 636 | 539 | 898 | 1436 | 1258 | 5704 | 985 | 590 | 705 | 2757 | 332 | 1875 | 3169 | 1088 | 5638 | 1078 | 1854.767441860465 | 236.1004132468577 | 2801 | 3381 | 1914 | 2456 | 462 | 1644 | 804 | 1357 | 5192 | 1251 | 4894 | 4169 | 2527.083333333333 | 457.2314488894388 | -672.3158914728683 | 0.1912789511670083 | 73.39557890296976 |  |  |  | 224798
226280 | 369173 | 98 | 226280 | 85:5416.0 86:4753.0 87:7225.0 88:3954.0 89:1111.0 90:535.0 93:141.0 94:2994.0 95:1070.0 96:2592.0 97:919.0 98:349245.0 99:28603.0 100:2729.0 101:5533.0 102:3612.0 103:51775.0 104:4432.0 105:4960.0 106:14.0 108:662.0 109:210.0 110:237.0 111:949.0 112:3022. |  |  |  | 135693 | 353158 | 111850 | 162459 | 76256 | 144873 | 93948 | 367452 | 314829 | 96717 | 542735 | 78513 | 272883 | 136033 | 63121 | 132279 | 55890 | 335468 | 294880 | 66765 | 126764 | 83681 | 353908 | 416458 | 64561 | 94951 | 368275 | 74489 | 69092 | 54866 | 130009 | 173501 | 364730 | 67888 | 88277 | 134401 | 279067 | 68480 | 204053 | 322777 | 102967 | 694165 | 76380 | 191849.8139534884 | 22592.61296560878 | 348236 | 368052 | 234119 | 104856 | 63211 | 131984 | 100268 | 200974 | 644842 | 148321 | 426643 | 365853 | 261446.5833333333 | 49835.93540360609 | -69596.76937984498 | 0.1708633844111124 | 73.38011899313595 |  |  |  | 226280
220010 | 1027429 | 227 | 220010 | 85:56.0 89:26.0 90:29.0 91:52.0 93:36.0 95:125.0 96:11.0 97:99.0 98:202.0 99:69.0 100:15.0 101:9.0 104:10.0 105:9.0 107:26.0 108:5.0 109:87.0 110:9.0 111:75.0 112:35.0 117:31.0 121:33.0 123:126.0 124:8.0 125:64.0 126:2.0 129:82.0 130:31.0 135:26.0 137:325 |  |  |  | 9100 | 8759 | 7827 | 12098 | 11331 | 10412 | 5727 | 9607 | 8384 | 9078 | 3175 | 9492 | 4717 | 12605 | 10430 | 11895 | 9607 | 10618 | 15814 | 9396 | 9623 | 11998 | 9731 | 2297 | 8193 | 9410 | 8258 | 10045 | 8581 | 8905 | 11212 | 5528 | 2970 | 15784 | 11795 | 6257 | 8026 | 12442 | 5323 | 8686 | 10969 | 4896 | 10172 | 9097.046511627907 | 456.105308012545 | 12410 | 18359 | 13159 | 16622 | 11156 | 16470 | 6381 | 5453 | 12142 | 13079 | 5036 | 19707 | 12497.83333333333 | 1415.675889724578 | -3400.786821705427 | 0.004142350350250431 | 72.78898885109078 |  |  | *** | 220010
240264 | 455266 | 320 | 240264 | 86:10873.0 87:1358.0 88:545.0 91:23.0 97:4.0 98:955.0 99:243.0 100:5490.0 101:1270.0 102:689.0 103:1074.0 104:3.0 105:2.0 107:266.0 110:2586.0 111:253.0 114:390.0 115:245.0 116:833.0 117:2473.0 118:364.0 119:19.0 123:127.0 127:1.0 129:573.0 130:2372.0 131 |  |  |  | 1473 | 2714 | 2062 | 1766 | 1140 | 2119 | 775 | 1891 | 2816 | 1355 | 2861 | 863 | 3014 | 1357 | 569 | 1989 | 280 | 1542 | 2683 | 822 | 3481 | 1303 | 2089 | 3384 | 534 | 1280 | 2433 | 1987 | 1516 | 520 | 1484 | 2678 | 4126 | 163 | 1332 | 1815 | 3267 | 434 | 1566 | 1965 | 1500 | 6387 | 779 | 1863.116279069767 | 179.4411412005997 | 2772 | 3192 | 2150 | 1421 | 321 | 1213 | 1166 | 3376 | 4296 | 2906 | 3361 | 4782 | 2579.666666666667 | 389.7752525170724 | -716.5503875968991 | 0.07647235039888059 | 72.22314042136327 |  |  |  | 240264
226859 | 926164 | 290 | 226859 | 85:8.0 86:230.0 88:114.0 90:95.0 92:9.0 93:49.0 95:285.0 96:156.0 97:532.0 98:388.0 99:114.0 100:245.0 101:346.0 102:88.0 103:4923.0 104:376.0 105:29.0 108:7.0 110:198.0 111:307.0 112:128.0 113:34.0 114:243.0 116:444.0 117:593.0 124:141.0 128:533.0 129:19 |  |  |  | 15450 | 41265 | 16318 | 18272 | 5546 | 15569 | 5768 | 38868 | 33076 | 5756 | 63194 | 1326 | 30475 | 15715 | 777 | 10708 | 471 | 42774 | 31938 | 1213 | 10337 | 4463 | 36931 | 46230 | 1734 | 5390 | 45707 | 2437 | 6846 | 660 | 19017 | 25503 | 42705 | 477 | 4185 | 18191 | 34906 | 903 | 17924 | 39238 | 5332 | 73960 | 5060 | 19595.6976744186 | 2853.262067695312 | 33189 | 46163 | 50663 | 4941 | 527 | 13951 | 7049 | 22546 | 49689 | 9193 | 51146 | 39415 | 27372.66666666667 | 5713.098276254436 | -7776.968992248065 | 0.2140038737648963 | 71.58855917491391 |  |  |  | 226859 |  | see if arachidonic is also lower in Dmitry's dataset
224033 | 605457 | 98 | 224033 | 86:2.0 88:74.0 89:93.0 90:4.0 94:176.0 95:103.0 96:797.0 98:21483.0 99:1611.0 100:392.0 101:142.0 104:514.0 108:114.0 109:60.0 110:680.0 112:169.0 113:380.0 114:461.0 115:23.0 119:1.0 122:131.0 123:14.0 124:568.0 126:707.0 128:931.0 129:384.0 132:1.0 137: |  |  |  | 5684 | 7710 | 6114 | 8675 | 2285 | 4907 | 4998 | 16119 | 10018 | 5462 | 3620 | 2052 | 9624 | 5968 | 1302 | 6504 | 1066 | 8692 | 11369 | 1588 | 5645 | 3865 | 6403 | 12403 | 1688 | 4916 | 10635 | 1494 | 1861 | 1251 | 3618 | 7407 | 10250 | 1270 | 3476 | 4331 | 9791 | 956 | 8921 | 11726 | 2848 | 12464 | 2601 | 5897.139534883721 | 590.5747229711055 | 9466 | 15972 | 8124 | 5435 | 1119 | 5482 | 4911 | 8925 | 18371 | 5537 | 4596 | 11053 | 8249.25 | 1430.641676994818 | -2352.110465116279 | 0.08621200654378824 | 71.48697802689604 |  |  |  | 224033
223548 | 749189 | 294 | 223548 | 86:338.0 91:350.0 92:15.0 93:78.0 94:42.0 95:90.0 97:60.0 98:176.0 99:205.0 102:52.0 103:21.0 107:240.0 108:5.0 109:6.0 121:4.0 122:42.0 123:33.0 124:71.0 130:290.0 134:593.0 135:121.0 136:12.0 143:110.0 147:3414.0 148:161.0 151:12.0 156:22.0 160:1.0 165: |  |  |  | 1446 | 1384 | 1455 | 1656 | 1903 | 930 | 1258 | 2006 | 837 | 987 | 1734 | 157 | 478 | 1419 | 2567 | 1340 | 2034 | 1983 | 701 | 2324 | 1861 | 2674 | 852 | 1745 | 1904 | 2346 | 1016 | 2777 | 2384 | 884 | 1824 | 1741 | 1438 | 2619 | 2375 | 1020 | 1870 | 2923 | 772 | 2775 | 1808 | 1534 | 535 | 1634.325581395349 | 106.1090807188383 | 3079 | 2344 | 2131 | 1476 | 2041 | 1793 | 2711 | 3359 | 2457 | 2132 | 1761 | 2288 | 2297.666666666667 | 157.4974426600141 | -663.3410852713178 | 0.003626664881044375 | 71.12979463493467 |  |  | *** | 223548
223778 | 226081 | 159 | 223778 | 85:113.0 86:205.0 87:100.0 88:141.0 89:1474.0 90:632.0 91:107.0 92:88.0 94:1229.0 96:8175.0 97:1325.0 98:1691.0 99:2012.0 101:1964.0 104:1296.0 108:484.0 109:581.0 111:2132.0 112:2884.0 113:5231.0 114:4542.0 115:1655.0 116:600.0 122:247.0 124:592.0 125:18 |  |  |  | 204412 | 365428 | 61553 | 213590 | 129228 | 276969 | 118410 | 370461 | 326849 | 186427 | 424917 | 137566 | 368569 | 81480 | 109847 | 145982 | 92471 | 326792 | 85539 | 122148 | 211561 | 102791 | 335448 | 381636 | 46340 | 115028 | 373390 | 141024 | 99352 | 91135 | 183123 | 96241 | 75296 | 109667 | 95539 | 77867 | 318293 | 117350 | 165900 | 83687 | 105874 | 517129 | 121134 | 188684.7209302326 | 18498.18271686426 | 299695 | 273273 | 284671 | 204207 | 100538 | 59136 | 145735 | 286197 | 545778 | 233040 | 396110 | 360963 | 265778.5833333333 | 38504.75114986468 | -77093.86240310076 | 0.06210897451419293 | 70.99319988984536 |  |  |  | 223778
235373 | 407853 | 258 | 235373 | 85:469.0 87:172.0 88:251.0 89:1073.0 91:425.0 92:674.0 93:200.0 94:1745.0 95:589.0 96:1132.0 97:410.0 98:504.0 99:2105.0 101:826.0 103:1897.0 104:24.0 105:309.0 107:1970.0 108:4329.0 109:677.0 110:8280.0 111:2751.0 112:347.0 113:292.0 114:813.0 115:1905.0 |  |  |  | 8117 | 12583 | 3771 | 8093 | 1424 | 10939 | 2892 | 7801 | 21428 | 3043 | 18317 | 2321 | 7691 | 2974 | 1656 | 8734 | 834 | 14552 | 8512 | 2611 | 5328 | 3144 | 22463 | 10116 | 2437 | 7626 | 12331 | 1345 | 1517 | 879 | 5062 | 5267 | 17557 | 1116 | 2786 | 2905 | 12216 | 1364 | 8898 | 10631 | 3541 | 27728 | 4706 | 7424.558139534884 | 988.4914221105743 | 6019 | 12598 | 6957 | 5597 | 591 | 8130 | 5382 | 5466 | 37405 | 6451 | 13369 | 18782 | 10562.25 | 2798.082533723819 | -3137.691860465116 | 0.1916181240415805 | 70.2933384414768 |  |  |  | 235373
281187 | 574112 | 185 | 281187 | 85:859.0 86:1257.0 88:81.0 90:3.0 94:57.0 95:200.0 96:1.0 98:615.0 99:373.0 100:1433.0 101:419.0 102:350.0 107:170.0 108:112.0 110:2324.0 112:228.0 113:183.0 114:101.0 116:814.0 117:1979.0 118:101.0 119:1.0 120:1.0 122:4.0 124:275.0 127:271.0 128:319.0 13 |  |  |  | 3526 | 1776 | 3464 | 4549 | 3359 | 3533 | 6778 | 2423 | 1409 | 4940 | 3611 | 6109 | 3459 | 3123 | 3295 | 3636 | 2180 | 2471 | 4384 | 3849 | 2427 | 1511 | 1810 | 2342 | 3701 | 2277 | 1847 | 3899 | 4737 | 2112 | 1465 | 2865 | 4074 | 2331 | 732 | 2697 | 1810 | 2619 | 1187 | 2948 | 4907 | 3394 | 1313 | 3043.697674418604 | 199.6930244784276 | 4489 | 5834 | 2588 | 5917 | 1594 | 7565 | 5758 | 3108 | 2558 | 6967 | 3158 | 2603 | 4344.916666666667 | 575.8459844902413 | -1301.218992248062 | 0.009372884131953996 | 70.05192292338413 |  |  | *** | 281187
227358 | 308098 | 142 | 227358 | 85:1167.0 86:1684.0 88:1144.0 89:4877.0 90:144.0 91:1932.0 92:4177.0 93:2900.0 94:1879.0 95:412.0 99:464.0 100:2961.0 101:1455.0 102:1308.0 103:1330.0 104:352.0 105:752.0 106:4122.0 107:31291.0 108:11162.0 109:71.0 111:1073.0 113:392.0 114:7611.0 115:732. |  |  |  | 5410 | 12710 | 4090 | 6670 | 2464 | 5280 | 3105 | 14010 | 10551 | 3033 | 19171 | 1519 | 9216 | 5272 | 1554 | 4640 | 1113 | 12654 | 11105 | 1442 | 4773 | 2369 | 17182 | 15142 | 1848 | 3196 | 12750 | 1652 | 2902 | 1153 | 6109 | 7725 | 12701 | 1970 | 2570 | 6225 | 10444 | 1597 | 6451 | 11293 | 3092 | 21467 | 2910 | 6803.023255813953 | 823.3695069337724 | 13513 | 14016 | 11420 | 3545 | 3759 | 6256 | 3061 | 8957 | 19788 | 4929 | 15327 | 12840 | 9784.25 | 1585.354310484797 | -2981.226744186047 | 0.09782714751979815 | 69.53034985628896 |  |  |  | 227358
glycerol-alpha-phosphate | 588999 | 299 | 231662 | 85:192.0 86:1048.0 87:8128.0 88:516.0 91:1930.0 92:41.0 93:468.0 94:454.0 96:86.0 97:477.0 99:456.0 100:682.0 101:19750.0 102:3500.0 103:16244.0 104:1452.0 105:1040.0 107:1196.0 108:84.0 109:121.0 110:2738.0 111:361.0 112:1814.0 113:2705.0 114:553.0 115:3 | 754 | C00093 |  | 7523 | 10030 | 9910 | 13085 | 10524 | 16084 | 14343 | 26434 | 10709 | 24462 | 12262 | 15468 | 13212 | 16997 | 17599 | 15830 | 19008 | 18476 | 30037 | 17076 | 15262 | 19799 | 12086 | 14132 | 10233 | 14827 | 14402 | 16602 | 13351 | 17506 | 15179 | 23041 | 12335 | 31953 | 20619 | 17874 | 12889 | 28315 | 7889 | 10408 | 38645 | 8610 | 17518 | 16570.79069767442 | 1017.84287490977 | 18636 | 24055 | 18979 | 29880 | 38721 | 22118 | 11096 | 22288 | 14471 | 25958 | 22535 | 38305 | 23920.16666666667 | 2430.227358216977 | -7349.375968992248 | 0.002438404214814778 | 69.27539815500624 |  |  | *** | glycerol-alpha-phosphate
226911 | 914309 | 290 | 226911 | 85:23.0 86:52.0 88:63.0 93:2.0 94:100.0 95:356.0 96:8.0 97:555.0 98:119.0 100:87.0 101:45.0 103:3133.0 104:94.0 105:34.0 109:35.0 111:27.0 113:58.0 114:123.0 116:684.0 117:470.0 123:12.0 124:41.0 125:44.0 128:160.0 129:146.0 130:114.0 138:57.0 140:17.0 14 |  |  |  | 4971 | 10258 | 5377 | 6099 | 2071 | 5006 | 2246 | 8326 | 9371 | 1961 | 15552 | 778 | 8270 | 4767 | 398 | 4047 | 272 | 10607 | 8831 | 552 | 3708 | 1627 | 7973 | 10348 | 843 | 2162 | 13855 | 1189 | 2626 | 342 | 6235 | 6458 | 12620 | 448 | 1601 | 5110 | 10084 | 505 | 5943 | 10561 | 2416 | 19930 | 1832 | 5538.976744186047 | 717.5635759921672 | 11307 | 11479 | 14331 | 2071 | 287 | 5062 | 2557 | 7087 | 15020 | 3719 | 11592 | 11560 | 8006 | 1482.318300991574 | -2467.023255813953 | 0.1212040073770078 | 69.18532031209152 |  |  |  | 226911
220009 | 459742 | 172 | 220009 | 86:414.0 88:1149.0 90:47.0 91:4.0 92:6.0 93:43.0 94:97.0 95:134.0 96:517.0 97:1784.0 98:1450.0 99:190.0 100:103.0 103:35.0 107:41.0 109:16.0 110:161.0 112:90.0 114:44.0 115:13.0 116:38.0 117:446.0 122:25.0 124:1004.0 125:79.0 128:469.0 129:69.0 130:177.0 |  |  |  | 69324 | 87443 | 71570 | 81994 | 83404 | 83725 | 64788 | 89293 | 78722 | 59922 | 61164 | 72491 | 57487 | 51280 | 67638 | 65520 | 61169 | 87976 | 78826 | 62433 | 68855 | 66461 | 88342 | 95364 | 67779 | 59437 | 87641 | 72171 | 68674 | 55459 | 49218 | 57757 | 91304 | 73949 | 72036 | 55628 | 82230 | 74406 | 53084 | 87847 | 70130 | 105355 | 41942 | 71656.69767441861 | 2123.455060965778 | 85676 | 318595 | 85707 | 72352 | 83317 | 79918 | 57808 | 75966 | 109869 | 82382 | 79143 | 128263 | 104916.3333333333 | 20103.63654135412 | -33259.63565891472 | 0.004214507110070818 | 68.29889627076045 |  |  | *** | 220009
putrescine | 588249 | 174 | 200452 | 86:318.0 87:200.0 88:8.0 91:33.0 92:33.0 93:28.0 94:8.0 95:6.0 98:3.0 99:13.0 100:147.0 102:3.0 106:5.0 108:5.0 109:8.0 110:15.0 112:6.0 114:8.0 115:2.0 116:7.0 118:1.0 123:3.0 126:23.0 128:10.0 130:64.0 131:1.0 132:5.0 135:1.0 136:3.0 137:3.0 138:3.0 140 | 1045 | C00134 |  | 1951 | 1778 | 2693 | 2405 | 2910 | 3693 | 22888 | 2834 | 1918 | 2745 | 2443 | 1996 | 2443 | 1727 | 2219 | 6244 | 1581 | 2296 | 2836 | 1617 | 2610 | 4661 | 7971 | 13241 | 1661 | 3513 | 3741 | 1639 | 4687 | 1132 | 2295 | 2170 | 7862 | 1652 | 9941 | 4750 | 4863 | 1445 | 2496 | 2369 | 2476 | 7844 | 1503 | 3900.906976744186 | 594.3406956232462 | 25300 | 3426 | 2589 | 16475 | 3149 | 1535 | 1392 | 2655 | 4359 | 1905 | 2565 | 3338 | 5724 | 2129.156185113262 | -1823.093023255814 | 0.2527989873016041 | 68.15001706401443 |  |  |  | putrescine
281182 | 518697 | 228 | 281182 | 88:243.0 91:118.0 95:1.0 96:471.0 97:290.0 98:1070.0 99:8469.0 100:1216.0 102:585.0 103:231.0 107:92.0 108:232.0 109:413.0 110:4850.0 111:238.0 112:28.0 113:83.0 114:360.0 118:462.0 119:132.0 120:258.0 122:62.0 124:716.0 126:892.0 127:538.0 128:478.0 129: |  |  |  | 1391 | 2257 | 1862 | 1490 | 713 | 1051 | 781 | 1874 | 2005 | 786 | 3054 | 818 | 1694 | 1147 | 863 | 1228 | 855 | 2054 | 1871 | 708 | 1173 | 817 | 2243 | 2830 | 775 | 936 | 3184 | 1267 | 801 | 575 | 1401 | 1478 | 2783 | 563 | 720 | 1507 | 1641 | 508 | 1485 | 1865 | 944 | 3912 | 754 | 1457.302325581395 | 121.8767851498132 | 3873 | 2207 | 1982 | 1278 | 1062 | 1103 | 1089 | 1612 | 5442 | 1016 | 2771 | 2274 | 2142.416666666667 | 389.0475054410438 | -685.1143410852712 | 0.02979251277355397 | 68.02142404207376 |  |  | *** | 281182
226923 | 743658 | 290 | 226923 | 85:46.0 86:176.0 88:269.0 96:14.0 97:217.0 99:79.0 100:131.0 102:64.0 103:2532.0 104:40.0 114:74.0 116:537.0 117:736.0 124:53.0 125:65.0 126:81.0 130:440.0 132:21.0 143:89.0 144:768.0 146:24.0 157:19.0 158:293.0 160:478.0 171:12.0 172:54.0 173:17.0 174:29 |  |  |  | 2609 | 11025 | 2677 | 2972 | 2640 | 928 | 3131 | 4095 | 7626 | 2463 | 3084 | 1974 | 4125 | 8563 | 1335 | 3479 | 1320 | 3523 | 4760 | 1534 | 2016 | 3545 | 5931 | 1692 | 2116 | 2921 | 4246 | 2094 | 2198 | 983 | 7906 | 1330 | 8598 | 1321 | 3117 | 2173 | 5074 | 1343 | 11131 | 8047 | 1872 | 7953 | 2353 | 3809.837209302325 | 417.2423667531476 | 13924 | 4993 | 12696 | 3143 | 1860 | 4242 | 2936 | 5656 | 2831 | 3154 | 3278 | 9227 | 5661.666666666667 | 1171.410515557888 | -1851.829457364342 | 0.06916250457900668 | 67.29179645514851 |  |  |  | 226923
281193 | 557891 | 144 | 281193 | 86:352.0 89:10083.0 90:889.0 91:575.0 94:528.0 98:3939.0 99:87.0 100:2035.0 101:1976.0 102:1518.0 103:2897.0 104:194.0 111:4.0 113:320.0 114:589.0 115:1225.0 116:4076.0 117:647.0 118:1021.0 119:527.0 122:210.0 128:1905.0 129:115.0 130:563.0 131:947.0 132: |  |  |  | 2106 | 4514 | 1172 | 2161 | 1031 | 1528 | 777 | 4864 | 3353 | 974 | 6621 | 674 | 1966 | 1781 | 838 | 1357 | 418 | 4146 | 3600 | 591 | 1778 | 870 | 7473 | 4869 | 855 | 542 | 4731 | 868 | 632 | 433 | 2278 | 2084 | 3356 | 647 | 801 | 1282 | 3068 | 706 | 2009 | 3637 | 755 | 8240 | 917 | 2262.860465116279 | 300.6728548595396 | 3820 | 4392 | 4308 | 1286 | 611 | 1991 | 728 | 2289 | 8896 | 1394 | 5944 | 5252 | 3409.25 | 721.5434647967571 | -1146.389534883721 | 0.09917090263676731 | 66.37414285007786 |  |  |  | 281193
223576 | 467132 | 329 | 223576 | 86:479.0 88:182.0 90:18.0 91:79.0 94:1751.0 95:657.0 96:2466.0 97:144.0 99:41.0 100:211.0 101:46.0 102:152.0 103:1691.0 104:168.0 107:431.0 108:1424.0 109:903.0 110:2128.0 111:111.0 112:64.0 113:45.0 114:508.0 115:176.0 116:216.0 118:369.0 119:234.0 123:2 |  |  |  | 3387 | 5827 | 2430 | 3500 | 2282 | 4101 | 2419 | 4758 | 6371 | 2376 | 9127 | 1515 | 1618 | 1071 | 1407 | 3149 | 1209 | 7322 | 6975 | 1834 | 3189 | 2230 | 11508 | 7703 | 1722 | 2661 | 5928 | 2031 | 1913 | 1123 | 3198 | 1498 | 5991 | 1462 | 2175 | 951 | 5973 | 1661 | 2801 | 6857 | 2290 | 9284 | 1978 | 3693.139534883721 | 399.4173477681111 | 5343 | 7492 | 3297 | 2779 | 1258 | 2898 | 2361 | 2166 | 22759 | 2840 | 6375 | 7851 | 5618.25 | 1681.12813459422 | -1925.110465116279 | 0.1009213590690776 | 65.7346955881942 |  |  |  | 223576
231161 | 575302 | 362 | 231161 | 85:603.0 86:1555.0 87:283.0 93:20.0 94:15.0 97:1035.0 98:816.0 99:2025.0 103:3726.0 104:588.0 105:885.0 107:494.0 111:47.0 113:1825.0 114:2320.0 116:457.0 118:1495.0 124:59.0 125:322.0 126:2657.0 128:181.0 129:2575.0 130:878.0 132:3196.0 134:693.0 136:214 |  |  |  | 365 | 341 | 375 | 270 | 345 | 373 | 498 | 421 | 354 | 519 | 245 | 287 | 400 | 445 | 433 | 400 | 411 | 494 | 393 | 452 | 268 | 399 | 281 | 442 | 467 | 496 | 600 | 571 | 339 | 396 | 375 | 250 | 392 | 462 | 378 | 339 | 299 | 400 | 214 | 261 | 406 | 502 | 171 | 384.3953488372093 | 14.34668592562748 | 453 | 675 | 902 | 577 | 731 | 606 | 464 | 657 | 321 | 571 | 492 | 823 | 606 | 47.47822467386306 | -221.6046511627907 | 1.56196480101821e-07 | 63.43157571571111 |  |  | *** | 231161
223527 | 373284 | 158 | 223527 | 85:1410.0 86:447.0 88:234.0 89:1.0 90:105.0 91:21.0 93:40.0 94:1.0 96:704.0 97:101.0 98:1497.0 99:104.0 100:1297.0 101:576.0 102:569.0 103:1774.0 104:516.0 105:2.0 106:93.0 107:123.0 108:264.0 109:2.0 110:166.0 111:30.0 112:27.0 113:642.0 114:476.0 115:77 |  |  |  | 3521 | 4925 | 2626 | 4456 | 2108 | 3295 | 3026 | 6196 | 4915 | 2834 | 7935 | 2007 | 4547 | 2183 | 1776 | 3485 | 1285 | 5368 | 4908 | 2011 | 3344 | 2417 | 12156 | 6577 | 1937 | 2761 | 4473 | 2939 | 1465 | 1015 | 2600 | 3746 | 6056 | 1497 | 2317 | 2257 | 4344 | 1532 | 3550 | 4668 | 3069 | 8624 | 1916 | 3689.930232558139 | 335.920614658502 | 4233 | 6679 | 4256 | 3501 | 1412 | 3659 | 3114 | 4154 | 22998 | 4340 | 6189 | 5772 | 5858.916666666667 | 1611.213214349969 | -2168.986434108528 | 0.04344021048301921 | 62.97973571720834 |  |  | *** | 223527
223566 | 624258 | 156 | 223566 | 86:115.0 98:206.0 99:618.0 100:171.0 102:53.0 110:34.0 114:20.0 119:92.0 120:42.0 126:39.0 130:5.0 132:351.0 139:54.0 140:142.0 141:152.0 155:323.0 156:4867.0 157:474.0 158:91.0 168:5.0 170:119.0 174:304.0 184:30.0 188:3.0 194:8.0 207:30.0 209:38.0 212:42 |  |  |  | 7605 | 5449 | 19367 | 6385 | 6488 | 5894 | 6467 | 8757 | 3818 | 6982 | 5480 | 9776 | 17098 | 4431 | 9157 | 8709 | 5745 | 5200 | 7361 | 6794 | 3673 | 9963 | 5683 | 4570 | 8544 | 11626 | 11668 | 8572 | 6357 | 6237 | 12989 | 4117 | 6876 | 9297 | 3495 | 4996 | 4116 | 4443 | 11034 | 10759 | 3559 | 20607 | 4512 | 7782.697674418605 | 607.5476106056999 | 9110 | 4912 | 20721 | 5877 | 34803 | 8001 | 18703 | 5570 | 27765 | 3482 | 4024 | 6086 | 12421.16666666667 | 3030.073603549804 | -4638.468992248061 | 0.0206168486718971 | 62.65673654717301 |  |  | *** | 223566
213697 | 456893 | 232 | 213697 | 86:2775.0 87:1232.0 88:314.0 89:512.0 92:2.0 93:4.0 94:14.0 99:7.0 100:22496.0 101:2806.0 102:1248.0 103:1570.0 104:214.0 105:567.0 107:24.0 108:5.0 109:7.0 114:3170.0 115:3935.0 116:937.0 117:3696.0 118:495.0 119:810.0 120:83.0 121:67.0 123:32.0 125:17.0 |  |  |  | 860 | 2018 | 739 | 887 | 557 | 838 | 627 | 2578 | 1810 | 606 | 1879 | 348 | 1463 | 739 | 351 | 745 | 332 | 1585 | 1891 | 435 | 906 | 346 | 2015 | 2733 | 528 | 854 | 1845 | 571 | 454 | 343 | 908 | 1065 | 3097 | 276 | 483 | 990 | 1402 | 366 | 1074 | 1845 | 806 | 3871 | 214 | 1122.790697674419 | 128.3344431564078 | 1982 | 1832 | 4421 | 611 | 420 | 899 | 2668 | 962 | 2885 | 1539 | 1589 | 1698 | 1792.166666666667 | 323.2049924919434 | -669.3759689922481 | 0.02780666740789625 | 62.64990408301415 |  |  | *** | 213697
217870 | 401556 | 142 | 217870 | 87:20.0 88:22.0 90:4.0 91:10.0 94:29.0 96:203.0 97:64.0 100:116.0 103:35.0 105:1.0 106:2.0 107:115.0 109:254.0 110:1017.0 112:35.0 113:215.0 114:313.0 115:44.0 116:351.0 118:28.0 119:5.0 122:113.0 123:16.0 124:1203.0 125:2314.0 126:179.0 128:1288.0 129:10 |  |  |  | 21203 | 60015 | 29084 | 43525 | 23199 | 37031 | 25252 | 66111 | 50739 | 22896 | 86267 | 11286 | 51402 | 33829 | 15362 | 24370 | 12951 | 57129 | 52303 | 15743 | 33628 | 22461 | 84606 | 67859 | 17230 | 22368 | 56816 | 20117 | 5282 | 13076 | 27230 | 39462 | 50711 | 15820 | 22355 | 37211 | 52283 | 15733 | 42388 | 55951 | 27888 | 97091 | 18304 | 36873.65116279069 | 3362.812832608745 | 57929 | 175415 | 60703 | 27772 | 14431 | 36899 | 27020 | 52546 | 95881 | 42851 | 56238 | 61889 | 59131.16666666666 | 12218.86234588874 | -22257.51550387597 | 0.01645169053748249 | 62.35907938474188 |  |  | *** | 217870
240017 | 351090 | 294 | 240017 | 85:53.0 86:1249.0 87:762.0 88:516.0 89:3720.0 90:514.0 91:258.0 92:221.0 93:532.0 94:129.0 95:10.0 96:620.0 97:25.0 98:107.0 99:659.0 100:2964.0 101:916.0 102:1178.0 103:2849.0 104:527.0 105:996.0 106:1174.0 107:232.0 108:116.0 110:1812.0 111:101.0 112:1. |  |  |  | 661 | 1001 | 675 | 1277 | 560 | 773 | 999 | 1210 | 1921 | 862 | 2875 | 472 | 1061 | 731 | 341 | 1063 | 343 | 1329 | 1811 | 618 | 638 | 708 | 2570 | 1944 | 418 | 1120 | 1349 | 521 | 328 | 317 | 485 | 796 | 1461 | 408 | 779 | 478 | 1278 | 504 | 1261 | 1529 | 1018 | 1977 | 399 | 996.953488372093 | 92.57877405678069 | 1198 | 2328 | 1164 | 1144 | 375 | 898 | 1355 | 1270 | 4495 | 1187 | 2181 | 1993 | 1632.333333333333 | 305.0463534903799 | -635.3798449612402 | 0.009559366440443267 | 61.07536175446761 |  |  | *** | 240017
281132 | 608773 | 276 | 281132 | 86:2803.0 87:25.0 88:80.0 99:338.0 100:410.0 110:181.0 117:1.0 124:40.0 127:46.0 128:132.0 129:1.0 130:229.0 138:9.0 148:1.0 149:1.0 150:47.0 151:15.0 155:635.0 156:579.0 158:191.0 164:111.0 170:11.0 177:1.0 184:67.0 188:50.0 199:68.0 204:53.0 225:17.0 22 |  |  |  | 1087 | 1436 | 765 | 1210 | 780 | 863 | 1056 | 1082 | 771 | 594 | 1588 | 923 | 976 | 910 | 355 | 878 | 666 | 1004 | 581 | 1067 | 535 | 383 | 1268 | 1106 | 476 | 579 | 1061 | 749 | 915 | 353 | 523 | 535 | 1047 | 455 | 728 | 693 | 1037 | 550 | 674 | 726 | 934 | 1432 | 291 | 828.8837209302326 | 47.23561039716571 | 1707 | 1560 | 729 | 1638 | 572 | 1374 | 1011 | 1358 | 973 | 2957 | 1754 | 1215 | 1404 | 179.054884086281 | -575.1162790697674 | 4.270813847483964e-05 | 59.03730206055787 |  |  | *** | 281132
270508 | 1084500 | 227 | 270508 | 85:612.0 87:15.0 91:133.0 98:40.0 99:309.0 101:76.0 109:21.0 115:50.0 121:201.0 123:102.0 127:84.0 133:84.0 134:121.0 137:62.0 141:8.0 144:18.0 155:1234.0 161:48.0 163:115.0 165:85.0 168:18.0 169:224.0 170:44.0 171:289.0 172:11.0 177:45.0 178:40.0 179:27. |  |  |  | 1326 | 1913 | 1397 | 3717 | 2676 | 2107 | 993 | 2157 | 2431 | 2059 | 702 | 1694 | 818 | 1511 | 1739 | 2652 | 1940 | 2243 | 4231 | 1777 | 2474 | 3066 | 2136 | 635 | 1493 | 2311 | 2518 | 2639 | 1904 | 1780 | 1545 | 889 | 1150 | 3996 | 2458 | 953 | 1785 | 2656 | 1155 | 2259 | 2833 | 1415 | 2054 | 2004.348837209302 | 125.7272526699017 | 3405 | 5265 | 2586 | 6759 | 2887 | 4107 | 1334 | 1100 | 4481 | 3048 | 1410 | 4608 | 3415.833333333333 | 495.8457854306043 | -1411.484496124031 | 0.0001793682133877796 | 58.67818015738382 |  |  | *** | 270508
202572 | 613924 | 217 | 202572 | 85:5549.0 86:994.0 87:6872.0 88:10091.0 89:17736.0 90:1939.0 91:1049.0 92:159.0 93:262.0 94:252.0 95:909.0 96:284.0 97:2116.0 98:1074.0 99:7296.0 100:1140.0 101:19429.0 102:7759.0 103:97671.0 104:9810.0 105:6647.0 106:554.0 107:430.0 108:153.0 109:4529.0 |  |  |  | 1285 | 1770 | 17010 | 1700 | 3658 | 1246 | 2084 | 1845 | 2601 | 969 | 2081 | 2471 | 27074 | 2743 | 1521 | 1258 | 918 | 1397 | 1329 | 1665 | 1099 | 1475 | 1210 | 1216 | 15373 | 8293 | 7150 | 8611 | 2057 | 1754 | 1748 | 2347 | 29124 | 1493 | 1729 | 1345 | 1553 | 1493 | 7939 | 1854 | 1895 | 17188 | 1097 | 4550.418604651163 | 1019.834740717792 | 1183 | 2495 | 31277 | 1942 | 1892 | 1336 | 27588 | 3293 | 10195 | 9591 | 1534 | 3483 | 7984.083333333333 | 3030.670831476527 | -3433.66472868217 | 0.1742305640265245 | 56.99362612678763 |  |  |  | 202572
281134 | 781899 | 324 | 281134 | 85:501.0 86:714.0 88:97.0 91:105.0 93:712.0 94:500.0 95:3021.0 96:3272.0 97:1830.0 98:2532.0 99:344.0 105:210.0 106:47.0 107:687.0 108:323.0 109:1027.0 110:1461.0 111:826.0 112:327.0 113:114.0 116:1109.0 117:11726.0 118:840.0 119:645.0 121:414.0 122:205.0 |  |  |  | 1289 | 1699 | 1170 | 2159 | 1108 | 635 | 3235 | 2065 | 1661 | 4744 | 1415 | 2867 | 1083 | 1155 | 1226 | 1765 | 3284 | 1577 | 1483 | 4288 | 1053 | 831 | 635 | 1840 | 1799 | 1831 | 1322 | 1428 | 1155 | 1168 | 1183 | 1052 | 1443 | 2278 | 1936 | 767 | 1930 | 1688 | 1738 | 1865 | 1409 | 1904 | 615 | 1692.511627906977 | 133.2543815476752 | 2467 | 5239 | 5560 | 3957 | 4000 | 5912 | 2598 | 2169 | 1621 | 4105 | 1083 | 5186 | 3658.083333333333 | 472.564208533474 | -1965.571705426357 | 8.15616448895912e-07 | 46.2677165521191 |  |  | *** | 281134
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | 109
Total # of Metabolites:
254