Silviase/jgov_v1.4_full_ann huggingface dataset:
Soft-hydrothermal processing

表.29 Fragment Pattern 解析(135.0445 m/z)-mass difference の小さい組成式 C8H7O2-

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
136.0479	2615	136.0524	1	-4.5	0	2	0	C8H8O2	none
135.0443	29208	135.0446	1	-0.3	0	1	0	C8H7O2	none
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
136.0479	2615	136.0524	1	-4.5	0	2	0	C8H8O2	none
135.0443	29208	135.0446	1	-0.3	0	1	0	C8H7O2	none
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
136.0479	2615	136.0524	1	-4.5	0	2	0	C8H8O2	none
135.0443	29208	135.0446	1	-0.3	0	1	0	C8H7O2	none

表.30 Fragment Pattern 解析(151.0392 m/z)-mass difference の小さい組成式 C8H7O3-

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
152.0425	2649	152.0473	1	-4.8	0	2	0	C8H8O3	none
151.0394	29352	151.0395	1	-0.1	0	1	0	C8H7O3	none
137.0209	2433	137.0239	1	-3	1	2	0.5	C7H5O3	CH2
136.0159	28429	136.016	1	-0.1	1	1	0.5	C7H4O3	CH3
135.0444	10695	135.0446	1	-0.2	1	1	2	C8H7O2	O
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
152.0425	2649	152.0473	1	-4.8	0	2	0	C8H8O3	none
151.0394	29352	151.0395	1	-0.1	0	1	0	C8H7O3	none
135.0444	10695	135.0446	1	-0.2	1	2	0.5	C8H7O2	O
135.0444	10695	135.0446	2	-0.2	1	1	2	C8H7O2	O
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
152.0425	2649	152.0473	1	-4.8	0	2	0	C8H8O3	none
151.0394	29352	151.0395	1	-0.1	0	1	0	C8H7O3	none
135.0444	10695	135.0446	1	-0.2	1	2	0.5	C8H7O2	O
135.0444	10695	135.0446	2	-0.2	1	2	0.5	C8H7O2	O
135.0444	10695	135.0446	3	-0.2	1	1	2	C8H7O2	O
## Soft-hydrothermal processing

ブナシメジの西武の解析と同様に、237.0763m/zを例として図.22(1)，(2)に示すように、再生培地側、廃培地側および未設置培地側で抽出したマーカーについてさらに解析を進めた。

ソフト水熱処理により変化した成分を処理強度（温度・時間）により再生培地側で抽出したマーカーについてさらに解析を進めた（図.42）。また廃培地側マーカーについても、同様に解析を進めた。

## ➢ 再生培地（ソフト水熱プロセス）特有の物質

図. 42 243.1597 m/z、515.1911 m/z のピーク面積グラフ（ソフト水熱処理により増加する成分）(Negative mode)

再生培地側で抽出したネガとポジ多量成分の一致成分ピーク（赤字）、およびエノキタケとブナシメジの共通成分（青字）をマーカーとして、ソフト水熱処理により変化した成分を処理強度（温度・時間）により図.42において提示する。これらはきのこ栽培で消費された物質（栄養素等の可能性あり）であって、ソフト水熱処理で再生可能な物質の群を提示する。同様に、ソフト水熱プロセスによる再生培地側の121.0289 m/z, 137.0238 m/z, 137.0237 m/z, 195.0293 m/z, 214.108 m/z, 243.1597 m/z, 515.1911 m/z のピーク成分についても、きのこ栽培で消費された物質（栄養素等の可能性あり）であって、ソフト水熱処理で再生可能な物質の群である。（グラフ省略）

## ➢ 廃培地特有の物質（グラフ省略）

168.295 m/z、283.1284 m/z、426.2075 m/z のピーク成分は、前述のブナシメジの廃培地と同様に廃培地側特徴的成分のマーカーとしてソフト水熱処理により変化した成分であり、これらは本来未接種培地には存在しない、あるいは少量しか存在しない成分であり、しかしきのこの生育に伴って増加した物質（老廃物、代謝物等の可能性あり）であって、ソフト水熱処理で除去可能な物質である。エノキタケにおいてもソフト水熱プロセスの加水分解作用によりリグニンを穏やかに分解しきのこの生育に必要なリグニン系香族モノマーが生成され、ソフト水熱プロセスの抽出除去作用により老廃物質、腐敗物質と考えられる有機物質が処理強度（温度、時間）に比例して除去されたことが実証された。
## Soft-hydrothermal processing

##### 2.4.2.2 エノキタケ培地の成分分析 未接種培地と廃培地

同様に、エノキタケの S-plot 両端のピークを解析（Negative mode）の未接種培地と廃培地との比較を図.43に提示する。表.31にそれぞれのマーカー候補をブナシメジとの共通成分と対照して提示する。

図.43 S-plot 両端のピークを解析 (Negative mode)-エノキタケ 未接種培地と廃培地の比較-

表.31 マーカー候補(Negative mode)-エノキタケ 未接種培地と廃培地の比較-

未接種培地側	廃培地側
Selected Peak	Retention Time (min)	Measured MW (m/z)	Retention Time (min)	Measured MW (m/z)
1	2.5566	121.0289	1.6893	164.0346
2	2.9933	137.0238	2.4182	168.0295
3	2.1853	137.0237	2.3095	178.0501
4	2.736	151.0392	2.6485	195.1011
5	2.4849	153.0183	2.63	192.0657
6	2.6536	163.0392	3.9224	208.0971
7	0.7424	222.0408	2.6021	224.093
8	2.4648	237.0763	2.4636	253.1077
9	2.5859	237.0761	3.6428	269.1755
10	1.9929	243.044	3.6739	279.1338
11	4.889	309.2073	3.492	333.167
12	5.2988	315.2537	3.9879	331.1907
13	2.3137	319.1177	4.0657	503.3
14	3.7176	327.2167
15	3.8966	329.2326
16	2.5882	397.9181
17	4.9434	631.3837
18	2.504	515.1911
19	3.8985	659.4729	赤字:Negative, Positive 共通	青:シメジ、エノキ共通
## Soft-hydrothermal processing

表.32に選択したピーク（ネガティブ、ポジティブ共通(赤字)）の構造検査の結果を提示する。また表.33にそのフラグメントパターン解析（208.0971 m/z）を提示する。

同様に、表.34に選択したピーク（ブナシメジ、エノキタケ共通(青字)）の構造検査の結果を提示する。また表.35から表.42にそのフラグメントパターン解析（それぞれ163.0392 m/z、237.0763 m/z、237.0761 m/z、315.2537 m/z、319.1177 m/z、327.2167 m/z、329.2326 m/z、503.3 m/z）を提示する。

表.32 構造検索結果(208.0971 m/z)-エノキタケネガティブ、ポジティブ共通-

Selected Peak	Retention Time(min)	Measured m/z	Possible Elemental Composition (Mass difference/mDa)	Hit compound searched by measured mass	Possible structure
6	3.9224	208.0971	(1)	C11H14NO3 (-0.3)	(1)	Methyl alpha-methyltyrosinate
(2)	C9H15NO3Na (2.1)	(2)	2-Isopropoxyphenyl methylcarbamate
(3)	C7H10N7O (2.4)	(3)	6-Allyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-amine

表.33 Fragment Pattern 解析 (208.0971 m/z)-mass difference の小さい組成式 C11H14N03-

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
209.1011	8605	209.1052	1	-4.1	0	2	0	C11H15N1O3	none
208.098	68968	208.0974	1	0.6	0	1	0	C11H14N1O3	none
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
209.1011	8605	209.1052	1	-4.1	0	2	0	C11H15N1O3	none
208.098	68968	208.0974	1	0.6	0	1	0	C11H14N1O3	none
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
209.1011	8605	209.1052	1	-4.1	0	2	0	C11H15N1O3	none
208.098	68968	208.0974	1	0.6	0	1	0	C11H14N1O3	none
表.34 構造検索結果-エノキタケ ブナシメジ、エノキタケ共通-

Selected Peak	Retention Time(min)	Measured m/z	Possible Elemental Composition (Mass difference/mDa)	Hit compound searched by measured mass	Possible structure
6	2.6536	163.0392	(1)	C5H3N6O (2.4)	(1)	2-Oxo-3-phenylpropanoic acid
(2)	C7H8O3Na (2.1)	(2)	4-Acetylbenzoic acid
(3)	C9H7O3 (-0.3)	(3)	4-Oxatricyclo[5.2.1.0~2.6~]dec-8-ene-3,5-dione
8	2.4648	237.0763	(1)	C12H13O5 (0.0)	(1)	1,8-Diamino-9,10-anthraquinone
(2)	C11H10N4ONa (1.1)	(2)	1,5-Diamino-9,10-anthraquinone
(3)	C13H9N4O (-1.3)	(3)	2,6-Diamino-9,10-anthraquinone

Selected Peak	Retention Time(min)	Measured m/z	Possible Elemental Composition (Mass difference/mDa)	Hit compound searched by measured mass	Possible structure
9	2.5859	237.0761	(1)	C12H13O5 (-0.2)	(1)	1,8-Diamino-9,10-anthraquinone
(2)	C10H14O5Na (2.2)	(2)	1,5-Diamino-9,10-anthraquinone
(3)	C11H10N4ONa (0.9)	(3)	2,6-Diamino-9,10-anthraquinone
12	5.2988	315.2537	(1)	C14H31N6O2 (2.9)	(1)	4-(2-Methyl-2-propanyl)-1,1-bis[(2-methyl-2-propanyl)peroxy]cyclohexane	No Result
(2)	C17H32N4Na (1.2)	(2)	3,3'-(1,3-Propanediyldi-4,1-piperidinediyldipropanentrile	No Result
(3)	C4H27N16O (-1.7)	(3)	9,10-Dihydroxyoctadecanoic acid
Soft-hydrothermal processing

表.34 構造検索結果-エノキタケ ブナシメジ、エノキタケ共通-（つづき）

Selected Peak	Retention Time(min)	Measured m/z	Possible Elemental Composition (Mass difference/mDa)	Hit compound searched by measured mass	Possible structure
13	2.3137	319.1177	(1)	C21H19OS (2.0)	(1)	1-Ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
(2)	C18H23OS2 (-1.3)	(2)	1-(Ethoxymethyl)-5-isopropyl-6-(phenylsulfanyl)-2,4(1H,3H)-pyrimidinedione
(3)	C21H16N2Na (-3.4)	(3)	4-[1-Hydroxy-2-(hydroxymethoxy)-2-(2-methoxyphenyl)ethyl]-2-methoxyphenol
14	3.7176	327.2167	(1)	C18H31O5 (-0.4)	(1)	2,2'-[(2,2-Dimethyl-1,3-propanediyl)bis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaborinane)	No Result
(2)	C19H27N4O (-1.8)	(2)	1,1',1''-(5-Methyl-1,3,5-hexanetriyl)tribenzene	No Result
(3)	C17H28N4ONa (0.6)	(3)	Dibutyl 4-acetyl-4-methylheptanedioate

Selected Peak	Retention Time(min)	Measured m/z	Possible Elemental Composition (Mass difference/mDa)	Hit compound searched by measured mass	Possible structure
15	3.8966	329.2326	(1)	C18H33O5 (-0.2)	(1)	(1S,3aS,3bR,5aS,10aS,10bS,12aS)-1,10a,12a-Trimethyl-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-c][1,2,5]oxadiazol-1-ol
(2)	C17H30N4ONa (0.9)	(2)	N,N-Diethyl-2-[2-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-1-yl]ethanamine
(3)	C16H34O5Na (2.2)	(3)	3-[(Dibutylamino)methyl]-7-methoxy-2-methyl-4-quinolinol
13	4.0657	503.3	(1)	C24H48O7NaS (-1.8)	(1)	2,2',2'',2''-[(4,8-Di(1-piperidinyl)pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo]tetraethanol
(2)	C22H43N6O5S (-1.6)	(2)	Methyl 3,7-diacetoxy-12-oxocholan-24-oate
(3)	C26H47O7S (-4.2)	(3)	2,2'-[(4,8-Di(4-morpholinyl)pyrimido[5,4-d]pyrimidine-2,6-diyl]bis(propylimino)]diethanol	No Result
Soft-hydrothermal processing

表.35 Fragment Pattern 解析(163.0392 m/z)-mass difference の小さい組成式 C9H7O3-

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
164.0421	3091	164.0473	1	-5.2	0	2	0	C9H8O3	none
163.0394	34589	163.0395	1	-0.1	0	1	0	C9H7O3	none
145.0284	2944	145.029	1	-0.6	1	0	0.5	C9H5O2	H2O
120.0537	3072	120.0575	1	-3.8	1	3	1	C8H8O1	CO2
119.0497	28501	119.0497	1	0	1	2	1	C8H7O1	CO2
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
164.0421	3091	164.0473	1	-5.2	0	2	0	C9H8O3	none
163.0394	34589	163.0395	1	-0.1	0	1	0	C9H7O3	none
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
164.0421	3091	164.0473	1	-5.2	0	2	0	C9H8O3	none
163.0394	34589	163.0395	1	-0.1	0	1	0	C9H7O3	none
145.0284	2944	145.029	1	-0.6	1	0	0.5	C9H5O2	H2O

表.36 Fragment Pattern 解析(237.0763 m/z)-mass difference の小さい組成式 C12H13O5-

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
238.0798	4635	238.0841	1	-4.3	0	2	0	C12H14O5	none
237.0759	37728	237.0763	1	-0.4	0	1	0	C12H13O5	none
163.0404	2060	163.0395	1	0.9	3	2	2	C9H7O3	C3H6O2
163.0404	2060	163.0395	2	0.9	3	2	2	C9H7O3	C3H6O2
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
238.0798	4635	238.0841	1	-4.3	0	2	0	C12H14O5	none
237.0759	37728	237.0763	1	-0.4	0	1	0	C12H13O5	none
163.0404	2060	163.0395	1	0.9	3	2	2	C9H7O3	C3H6O2
163.0404	2060	163.0395	2	0.9	3	2	2	C9H7O3	C3H6O2
163.0404	2060	163.0395	3	0.9	3	2	2	C9H7O3	C3H6O2
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
238.0798	4635	238.0841	1	-4.3	0	2	0	C12H14O5	none
237.0759	37728	237.0763	1	-0.4	0	1	0	C12H13O5	none
163.0404	2060	163.0395	1	0.9	3	2	2	C9H7O3	C3H6O2
163.0404	2060	163.0395	2	0.9	3	2	2	C9H7O3	C3H6O2
163.0404	2060	163.0395	3	0.9	3	2	2	C9H7O3	C3H6O2
Soft-hydrothermal processing

表.37 Fragment Pattern 解析 (237.0761 m/z)-mass difference の小さい組成式 C12H13O5-

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
238.0789	17344	238.0841	1	-5.2	0	0	0	C12H14O5	H
223.0972	1015	223.097	1	0.2	1	2	0.5	C12H15O4	O
223.0972	1015	223.097	2	0.2	1	1	2	C12H15O4	O
210.0589	765	210.0528	1	6.1	2	2	1	C10H10O5	C2H5
210.0589	765	210.0528	2	6.1	2	2	1	C10H10O5	C2H5
209.0449	2701	209.045	1	-0.1	2	1	1	C10H9O5	C2H6
209.0449	2701	209.045	2	-0.1	2	1	1	C10H9O5	C2H6
181.0531	629	181.0501	1	3	4	5	2	C9H9O4	C3H6O
180.0739	407	180.0786	1	-4.7	2	2	1.5	C10H12O3	C2H3O2
180.0739	407	180.0786	2	-4.7	2	2	1.5	C10H12O3	C2H3O2
167.0684	201	167.0708	1	-2.4	3	4	2	C9H11O3	C3H4O2
167.0684	201	167.0708	2	-2.4	3	4	2	C9H11O3	C3H4O2
165.0545	3434	165.0552	1	-0.7	3	2	2	C9H9O3	C3H6O2
165.0545	3434	165.0552	2	-0.7	3	2	2	C9H9O3	C3H6O2
164.0427	1303	164.0473	1	-4.6	3	1	2	C9H8O3	C3H7O2
164.0427	1303	164.0473	2	-4.6	3	1	2	C9H8O3	C3H7O2
163.0389	11622	163.0395	1	-0.6	3	0	2	C9H7O3	C3H8O2
163.0389	11622	163.0395	2	-0.6	3	0	2	C9H7O3	C3H8O2

表.37 Fragment Pattern 解析(237.0761 m/z)-mass difference の小さい組成式 C12H13O5-(つづき)

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
238.0789	17344	238.0841	1	−5.2	0	0	0	C12H14O5	H
223.0972	1015	223.097	1	0.2	1	2	0.5	C12H15O4	O
223.0972	1015	223.097	2	0.2	1	1	2	C12H15O4	O
210.0589	765	210.0528	1	6.1	2	2	1	C10H10O5	C2H5
210.0589	765	210.0528	2	6.1	2	2	1	C10H10O5	C2H5
210.0589	765	210.0528	3	6.1	2	2	1	C10H10O5	C2H5
209.0449	2701	209.045	1	−0.1	2	1	1	C10H9O5	C2H6
209.0449	2701	209.045	2	−0.1	2	1	1	C10H9O5	C2H6
209.0449	2701	209.045	3	−0.1	2	1	1	C10H9O5	C2H6
181.0531	629	181.0501	1	3	4	5	2	C9H9O4	C3H6O
180.0739	407	180.0786	1	−4.7	2	2	1.5	C10H12O3	C2H3O2
180.0739	407	180.0786	2	−4.7	2	2	1.5	C10H12O3	C2H3O2
180.0739	407	180.0786	3	−4.7	2	2	1.5	C10H12O3	C2H3O2
167.0684	201	167.0708	1	−2.4	3	4	2	C9H11O3	C3H4O2
167.0684	201	167.0708	2	−2.4	3	4	2	C9H11O3	C3H4O2
167.0684	201	167.0708	3	−2.4	3	4	2	C9H11O3	C3H4O2
165.0545	3434	165.0552	1	−0.7	3	2	2	C9H9O3	C3H6O2
165.0545	3434	165.0552	2	−0.7	3	2	2	C9H9O3	C3H6O2
165.0545	3434	165.0552	3	−0.7	3	2	2	C9H9O3	C3H6O2
164.0427	1303	164.0473	1	−4.6	3	1	2	C9H8O3	C3H7O2
164.0427	1303	164.0473	2	−4.6	3	1	2	C9H8O3	C3H7O2
164.0427	1303	164.0473	3	−4.6	3	1	2	C9H8O3	C3H7O2
163.0389	11622	163.0395	1	−0.6	3	0	2	C9H7O3	C3H8O2
163.0389	11622	163.0395	2	−0.6	3	0	2	C9H7O3	C3H8O2
163.0389	11622	163.0395	3	−0.6	3	0	2	C9H7O3	C3H8O2
Soft-hydrothermal processing

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
238.0789	17344	238.0841	1	−5.2	0	0	0	C12H14O5	H
223.0972	1015	223.097	1	0.2	1	2	0.5	C12H15O4	O
223.0972	1015	223.097	2	0.2	1	1	2	C12H15O4	O
210.0589	765	210.0528	1	6.1	2	2	1	C10H10O5	C2H5
210.0589	765	210.0528	2	6.1	2	2	1	C10H10O5	C2H5
210.0589	765	210.0528	3	6.1	2	2	1	C10H10O5	C2H5
209.0449	2701	209.045	1	−0.1	2	1	1	C10H9O5	C2H6
209.0449	2701	209.045	2	−0.1	2	1	1	C10H9O5	C2H6
209.0449	2701	209.045	3	−0.1	2	1	1	C10H9O5	C2H6
181.0531	629	181.0501	1	3	4	5	2	C9H9O4	C3H6O
180.0739	407	180.0786	1	−4.7	2	2	1.5	C10H12O3	C2H3O2
180.0739	407	180.0786	2	−4.7	2	2	1.5	C10H12O3	C2H3O2
180.0739	407	180.0786	3	−4.7	2	2	1.5	C10H12O3	C2H3O2
167.0684	201	167.0708	1	−2.4	3	4	2	C9H11O3	C3H4O2
167.0684	201	167.0708	2	−2.4	3	4	2	C9H11O3	C3H4O2
167.0684	201	167.0708	3	−2.4	3	4	2	C9H11O3	C3H4O2
165.0545	3434	165.0552	1	−0.7	3	2	2	C9H9O3	C3H6O2
165.0545	3434	165.0552	2	−0.7	3	2	2	C9H9O3	C3H6O2
165.0545	3434	165.0552	3	−0.7	3	2	2	C9H9O3	C3H6O2
164.0427	1303	164.0473	1	−4.6	3	1	2	C9H8O3	C3H7O2
164.0427	1303	164.0473	2	−4.6	3	1	2	C9H8O3	C3H7O2
164.0427	1303	164.0473	3	−4.6	3	1	2	C9H8O3	C3H7O2
163.0389	11622	163.0395	1	−0.6	3	0	2	C9H7O3	C3H8O2
163.0389	11622	163.0395	2	−0.6	3	0	2	C9H7O3	C3H8O2
163.0389	11622	163.0395	3	−0.6	3	0	2	C9H7O3	C3H8O2

表.38 Fragment Pattern 解析(315.2537 m/z)-mass difference の小さい組成式 C14H31N6O2

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
316.2603	580	316.2587	1	1.6	0	2	0	C14H32N6O2	none
315.2534	2089	315.2508	1	2.6	0	1	0	C14H31N6O2	none
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
316.2603	580	316.2587	1	1.6	0	2	0	C14H32N6O2	none
315.2534	2089	315.2508	1	2.6	0	1	0	C14H31N6O2	none
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
316.2603	580	316.2587	1	1.6	0	2	0	C14H32N6O2	none
315.2534	2089	315.2508	1	2.6	0	1	0	C14H31N6O2	none
Soft-hydrothermal processing

表.39 Fragment Pattern 解析 (319.1177 m/z)-mass difference の小さい組成式 C18H23OS2-

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
319.119	9026	319.119	1	0	0	1	0	C18H23O1S2	none
136.0403	31591	136.038	1	2.3	2	4	1.5	C5H12S2	C13H11O
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
319.119	9026	319.119	1	0	0	1	0	C18H23O1S2	none
Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
319.119	9026	319.119	1	0	0	1	0	C18H23O1S2	none

表.40 Fragment Pattern 解析 (327.2167 m/z)-mass difference の小さい組成式 C18H31O5-

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
328.2209	30481	328.225	1	-4.1	0	2	0	C18H32O5	none
327.2175	155341	327.2171	1	0.4	0	1	0	C18H31O5	none
Possible structure	Daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
328.2209	30481	328.225	1	-4.1	0	2	0	C18H32O5	none
327.2175	155341	327.2171	1	0.4	0	1	0	C18H31O5	none
229.1435	3195	229.144	1	-0.5	2	3	1.5	C12H21O4	C6H10O
211.1329	2802	211.1334	1	-0.5	1	0	1	C12H19O3	C6H12O2
211.1329	2802	211.1334	2	-0.5	2	1	1.5	C12H19O3	C6H12O2
211.1329	2802	211.1334	3	-0.5	2	1	2	C12H19O3	C6H12O2
211.1329	2802	211.1334	4	-0.5	2	1	2	C12H19O3	C6H12O2
211.1329	2802	211.1334	5	-0.5	2	1	2	C12H19O3	C6H12O2
171.1016	2684	171.1021	1	-0.5	2	3	1.5	C9H15O3	C9H16O2
171.1016	2684	171.1021	2	-0.5	2	3	2	C9H15O3	C9H16O2
171.1016	2684	171.1021	3	-0.5	2	3	2	C9H15O3	C9H16O2
Soft-hydrothermal processing

表. 40 Fragment Pattern 解析 (327.2167 m/z)-mass difference の小さい組成式 C18H31O5-（つづき）

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
H₂C	328.2209	30481	328.225	1	-4.1	0	2	0	C18H32O5	none
327.2175	155341	327.2171	1	0.4	0	1	0	C18H31O5	none
211.1329	2802	211.1334	1	-0.5	2	1	2	C12H19O3	C6H12O2
211.1329	2802	211.1334	2	-0.5	3	4	2	C12H19O3	C6H12O2
211.1329	2802	211.1334	3	-0.5	2	1	2	C12H19O3	C6H12O2
171.1016	2684	171.1021	1	-0.5	2	3	2	C9H15O3	C9H16O2
171.1016	2684	171.1021	2	-0.5	2	3	2	C9H15O3	C9H16O2

表.41 Fragment Pattern 解析 (329.2326 m/z)-mass difference の小さい組成式 C18H33O5-

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
-	330.237	339477	330.2406	1	-3.6	0	2	0	C18H34O5	none
329.2334	1718865	329.2328	1	0.6	0	1	0	C18H33O5	none
229.144	33103	229.144	1	0	1	2	1	C12H21O4	C6H12O
211.1337	28180	211.1334	1	0.3	2	1	1.5	C12H19O3	C6H14O2
211.1337	28180	211.1334	2	0.3	2	1	1.5	C12H19O3	C6H14O2
211.1337	28180	211.1334	3	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	4	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	5	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	6	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	7	0.3	2	-1	2	C12H19O3	C6H14O2

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
$ \ce{C6H12O4} $	330.237	339477	330.2406	1	-3.6	0	2	0	C18H34O5	none
329.2334	1718865	329.2328	1	0.6	0	1	0	C18H33O5	none
229.144	33103	229.144	1	0	1	2	1	C12H21O4	C6H12O
211.1337	28180	211.1334	1	0.3	2	1	1.5	C12H19O3	C6H14O2
211.1337	28180	211.1334	2	0.3	2	1	1.5	C12H19O3	C6H14O2
211.1337	28180	211.1334	3	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	4	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	5	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	6	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	7	0.3	2	-1	2	C12H19O3	C6H14O2

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
CH3	330.237	339477	330.2406	1	-3.6	0	2	0	C18H34O5	none
329.2334	1718865	329.2328	1	0.6	0	1	0	C18H33O5	none
229.144	33103	229.144	1	0	1	2	1	C12H21O4	C6H12O
211.1337	28180	211.1334	1	0.3	2	1	1.5	C12H19O3	C6H14O2
211.1337	28180	211.1334	2	0.3	2	1	1.5	C12H19O3	C6H14O2
211.1337	28180	211.1334	3	0.3	2	1	1.5	C12H19O3	C6H14O2
211.1337	28180	211.1334	4	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	5	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	6	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	7	0.3	2	-1	2	C12H19O3	C6H14O2
211.1337	28180	211.1334	8	0.3	2	-1	2	C12H19O3	C6H14O2
Soft-hydrothermal processing

表.42 Fragment Pattern 解析 (503.3 m/z)-mass difference の小さい組成式 C22H43N6O5S

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
504.3015	4872	504.3094	1	-7.9	0	2	0	C22H44N6O5S1	none
503.2999	14926	503.3016	1	-1.7	0	1	0	C22H43N6O5S1	none
487.3036	1535	487.3066	1	-3	1	2	0.5	C22H43N6O4S1	O
487.3036	1535	487.3066	2	-3	1	1	2	C22H43N6O4S1	O
487.3036	1535	487.3066	3	-3	1	1	2	C22H43N6O4S1	O
487.3036	1535	487.3066	4	-3	1	1	2	C22H43N6O4S1	O
487.3036	1535	487.3066	5	-3	1	1	2	C22H43N6O4S1	O
457.2948	2446	457.2961	1	-1.3	1	0	1	C21H41N6O3S1	CH2O2
457.2948	2446	457.2849	1	9.9	3	4	1.5	C22H41N4O4S1	H2N2O
457.2948	2446	457.2849	2	9.9	3	4	1.5	C22H41N4O4S1	H2N2O
457.2948	2446	457.2849	3	9.9	3	4	1.5	C22H41N4O4S1	H2N2O
437.2201	974	437.2223	1	-2.2	4	-1	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	2	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	3	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	4	-2.2	4	-1	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	5	-2.2	4	-1	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	6	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	7	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
436.2193	4849	436.2144	1	4.9	4	-2	2	C21H32N4O4S1	CH11N2O
436.2193	4849	436.2144	2	4.9	4	-2	2	C21H32N4O4S1	CH11N2O
436.2193	4849	436.2144	3	4.9	4	-2	2	C21H32N4O4S1	CH11N2O
436.2193	4849	436.227	1	-7.7	4	-1	2	C22H34N3O4S1	H9N3O
403.2659	925	403.2617	1	4.2	2	4	2	C18H37N5O3S1	C4H6NO2
403.2659	925	403.2617	2	4.2	2	4	2	C18H37N5O3S1	C4H6NO2
257.1493	2112	257.1501	1	-0.8	3	4	2	C12H21N2O4	C10H22N4OS

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
504.3015	4872	504.3094	1	-7.9	0	2	0	C22H44N6O5S1	none
503.2999	14926	503.3016	1	-1.7	0	1	0	C22H43N6O5S1	none
487.3036	1535	487.3066	1	-3	1	2	0.5	C22H43N6O4S1	O
487.3036	1535	487.3066	2	-3	1	1	2	C22H43N6O4S1	O
487.3036	1535	487.3066	3	-3	1	1	2	C22H43N6O4S1	O
487.3036	1535	487.3066	4	-3	1	1	2	C22H43N6O4S1	O
487.3036	1535	487.3066	5	-3	1	1	2	C22H43N6O4S1	O
457.2948	2446	457.2961	1	-1.3	1	0	1	C21H41N6O3S1	CH2O2
457.2948	2446	457.2849	1	9.9	3	4	1.5	C22H41N4O4S1	H2N2O
457.2948	2446	457.2849	2	9.9	3	4	1.5	C22H41N4O4S1	H2N2O
457.2948	2446	457.2849	3	9.9	3	4	1.5	C22H41N4O4S1	H2N2O
437.2201	974	437.2223	1	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	2	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	3	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	4	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	5	-2.2	4	-1	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	6	-2.2	4	-1	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	7	-2.2	4	-1	2	C21H33N4O4S1	CH10N2O
436.2193	4849	436.2144	1	4.9	4	-2	2	C21H32N4O4S1	CH11N2O
436.2193	4849	436.2144	2	4.9	4	-2	2	C21H32N4O4S1	CH11N2O
436.2193	4849	436.2144	3	4.9	4	-2	2	C21H32N4O4S1	CH11N2O
436.2193	4849	436.227	1	-7.7	4	-1	2	C22H34N3O4S1	H9N3O
403.2659	925	403.2617	1	4.2	2	4	2	C18H37N5O3S1	C4H6NO2
403.2659	925	403.2617	2	4.2	2	4	2	C18H37N5O3S1	C4H6NO2
257.1493	2112	257.1501	1	-0.8	3	4	2	C12H21N2O4	C10H22N4OS
Soft-hydrothermal processing

表.42 Fragment Pattern 解析 (503.3 m/z)-mass difference の小さい組成式 C22H43N6O5S-(つづき)

Possible structure	daughter	intensity	mass	rank	mass error	bonds	h	score	formula	formula diff
504.3015	4872	504.3094	1	-7.9	0	2	0	C22H44N6O5S1	none
503.2999	14926	503.3016	1	-1.7	0	1	0	C22H43N6O5S1	none
487.3036	1535	487.3066	1	-3	1	2	0.5	C22H43N6O4S1	O
487.3036	1535	487.3066	2	-3	1	1	2	C22H43N6O4S1	O
487.3036	1535	487.3066	3	-3	1	1	2	C22H43N6O4S1	O
487.3036	1535	487.3066	4	-3	1	1	2	C22H43N6O4S1	O
487.3036	1535	487.3066	5	-3	1	1	2	C22H43N6O4S1	O
457.2948	2446	457.2961	1	-1.3	1	0	1	C21H41N6O3S1	CH2O2
457.2948	2446	457.2849	1	9.9	3	4	1.5	C22H41N4O4S1	H2N2O
457.2948	2446	457.2849	2	9.9	3	4	1.5	C22H41N4O4S1	H2N2O
457.2948	2446	457.2849	3	9.9	3	4	1.5	C22H41N4O4S1	H2N2O
437.2201	974	437.2223	1	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	2	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	3	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	4	-2.2	4	-1	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	5	-2.2	3	-2	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	6	-2.2	4	-1	2	C21H33N4O4S1	CH10N2O
437.2201	974	437.2223	7	-2.2	4	-1	2	C21H33N4O4S1	CH10N2O
436.2193	4849	436.2144	1	4.9	4	-2	2	C21H32N4O4S1	CH11N2O
436.2193	4849	436.2144	2	4.9	4	-2	2	C21H32N4O4S1	CH11N2O
436.2193	4849	436.2144	3	4.9	4	-2	2	C21H32N4O4S1	CH11N2O
436.2193	4849	436.227	1	-7.7	4	-1	2	C22H34N3O4S1	H9N3O
403.2659	925	403.2617	1	4.2	2	4	2	C18H37N5O3S1	C4H6NO2
403.2659	925	403.2617	2	4.2	2	4	2	C18H37N5O3S1	C4H6NO2
257.1493	2112	257.1501	1	-0.8	2	3	1.5	C12H21N2O4	C10H22N4OS
257.1493	2112	257.1501	2	-0.8	3	4	2	C12H21N2O4	C10H22N4OS

ソフト水熱処理により変化した成分を処理強度（温度・時間）により未接種培地（通常培地）側で抽出したマーカーについてさらに解析を進めた（図.44、図.45参照）。また、廃培地側マーカーについても、同様に解析を進めた（図.46参照）。

## ➢ 未接種培地（通常培地）特有の物質

再生培地側で抽出したエノキタケとブナシメジの共通成分（青字）をマーカーとして、ソフト水熱処理により変化した成分を処理強度（温度・時間）により図.44および図.45において提示する。図.44はきのこ栽培で消費された物質（栄養素等の可能性あり）であって、ソフト水熱処理で再生可能な物質の群である。同様に、未接種培地側の243.044 m/zのピーク成分についても、きのこ栽培で消費された物質（栄養素等の可能性あり）であって、ソフト水熱処理で再生可能な物質の群である。

なお、151.392 m/z は図.42 に示しているように、典型的なきのこ栽培により減少しソフト水熱処理で増加する成分である。

図.45にきのこ栽培で消費された物質（栄養素等の可能性あり）であって、ソフト水熱処理で変化しない物質の群、およびきのこ栽培で消費された物質であって、ソフト水熱処理で未接種培地と同等といかないまでも再生可能な物質の群を提示する。これらはリグニン系香族モノマーの237.0763 m/zと類似するが芳香環置換基の少ないきのこ培地に使用されるものに「草本系植物（ムギやイネに由来するコメヌカ、ワラ、フスマ等のいわゆる培地添加物）」系芳香族モノマーと考えられる。これらは添加材として通常培地と同様に再生培地においても適宜添加している。153.0183 m/z, 222.0408 m/z, 309.2073 m/z, 397.9181 m/z, 631.3837 m/z, 659.4729 m/zについても同様の群と考えられる。（グラフ省略）
図.44 163.0392 m/z、237.0763 m/z、237.0761 m/z、319.1177 m/z のピーク面積グラフ（きのこ栽培により減少しソフト水熱処理で増加する成分）(Negative mode)

図. 45 315.2537 m/z、327.2167 m/z、329.2326 m/z のピーク面積グラフ（きのこ栽培により減少しソフト水熱処理で変化しない、あるいはソフト水熱処理で増加する成分）(Negative mode)