t'

I

The Mass Spectra and Isotopic

Purity of Compounds Proposed for

Use in the “Master Analytical

Scheme for the Analysis of Organic

Compounds in Water"

In Partial Fulfillment of EPA Interagency Agreement No. EPA-IAGD5-E684

E. White V, M. J. Welch*, and H. S. Hertz

Center for Analytical Chemistry

National Measurement Laboratory

National Bureau of Standards

U.S. Department of Commerce

Washington, DC 20234

^College of American Pathologists Research Associate

November 1980

Prepared for U.S. Environmental Protection Agency

qq

> of Energy Processes and Effects Research

100

,1156

80-2160

1980

and Air Division

ngton, DC 20460

*ATIO.NAl, BUREAU

or standards

A(5tfa

iA?

r 1981

NBSIR 80-2160 / ./ ftt THE MASS SPECTRA AND ISOTOPIC

PURITY OF COMPOUNDS PROPOSED FOR

USE IN THE "MASTER ANALYTICAL

SCHEME FOR THE ANALYSIS OF ORGANIC

COMPOUNDS IN WATER"

In Partial Fulfillment of

EPA Interagency Agreement No. EPA-IAGD5-E684

E. White V, M. J. Welch*, and H. S. Hertz

Center for Analytical Chemistry

National Measurement Laboratory

National Bureau of Standards

U.S. Department of Commerce

Washington, DC 20234

"College of American Pathologists Research Associate

November 1980

Prepared for U.S. Environmental Protection Agency

Office of Energy Processes and Effects Research

Energy and Air Division

Washington, DC 20460

U.S. DEPARTMENT OF COMMERCE, Philip M. Klutznick, Secretary

Jordan J. Baruch, Assistant Secretary for Productivity, Technology, and Innovation

NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Director

The Mass Spectra and Isotopic Purity of

Compounds Proposed for Use in the "Master

Analytical Scheme for the Analysis of

Organic Compounds in Water"

by

E. White V

M. J. Welch*

H. S. Hertz

Center for Analytical Chemistry

National Bureau of Standards

Washington, DC 20234

This study was conducted as part of the

Federal Interagency Energy/Environment Research

and Development Program as part of Interagency Agreement

No. EPA-IAGD5-E684

College of American Pathologists Research Associate

Introduction

A "Master Analytical Scheme" for the analysis of organic compounds in

water is being developed by the Environmental Protection Agency. It is the

aim of this scheme to allow qualitative and quantitative analysis of organic

chemicals in water by gas chromatography/mass spectrometry . A series of

internal standards is required for the quantitative analyses associated with

the scheme. The compounds of choice are stable isotope labeled materials.

The National Bureau of Standards has analyzed a series of deuterium labeled

compounds for potential use as the internal standards. The results of isotopic

purity studies of these compounds as well as the mass spectra of these labeled

materials are contained in this report.

1
Mass Spectra

Electron impact mass spectra of 70 eV were recorded on a Varian MAT 731

mass spectrometer at a source temperature, of 150 a C; dodecyl phcsphate-d 2S

trimethyl si lyl derivative was recorded on a Varian MAT CH 7A at a source

temperature of 250 °C. The sample inlet system was a small stainless steel

resevoir at 1Q0 °C except as noted on the spectra. The reported spectra are

the average of six scans except for the trimethyl si lyl derivatives of

bisphenol A-dii» and mono-n-dodecyl phosphate-d2 s which are single scans. Peaks

at half-integer masses have been omitted from the acridine-dg and bromoethane-d s

spectra

Spectra for t-butanol -d9 , n-butyric acid-d7, ethanol -d s , and phenol -ds,

were obtained from the corresponding fully deuterated compounds by simultaneously introducing the fully deuterated compounds and a large excess of

water from separate inlet resevoirs which share a common transfer line to

the ion source.

The spectrum of bisphenol -A-dx 4 was obtained on a material prepared by

six times dissolving a sample of bisphenol -A-di 5 in methanol and evaporating

to dryness. The trimethyl si lyl ether derivative was used for the estimation

of isotopic purity since further loss of deuterium was observed when bisphenolA-dii* was exposed to water vapor in the ion source of the mass spectrometer

Mono-n-dodecyl phosphate-d2 3 did not give a mass spectrum representative

of intact material when heated on a direct probe.

Isotopic Purity

Isotopic purities were calculated from an average of six scans of the

molecular ion cluster of underivatized compounds obtained under the same

conditions as the complete spectra except for: 1) bisphenol -A-di * which was

measured from the molecular ion of the trimethyl si lyl derivative; 2 )

2
n-butyric acid-d7 , ethanol -ds, and phenol-d 5 which were measured on the

molecular ions of the material formed by the simultaneous introduction of the

corresponding fully deuterated compound and a large excess of water into the

source of the mass spectrometer; 3} di-n-octyl ether which was measured at

m/z 130 (CaDi 7 +

); 4], t-butanol-d9 which was measured at m/z 54 (.C„D a +

') at a

resolution of 5200. This resolution is sufficient to eliminate interference

from oxygen containing fragments. The t-butanol-d^ was formed from

t-butanol -Di „ by the simultaneous introduction of a large excess of water.

Identification of any conmercial product does not imply recommendation or

endorsement by the National Bureau of Standards, nor does it imply that the

material or equipment indentified is necessarily the best available for the

purpose.

3
Isotopic

Compound

Purity of Marker Compounds

No. of Deuterium Atoms

Present In Compound

As Supplied After Exchange'

Atom 1 , Deuterium0

Mole l Complete^

Labeled"

Acetonitrile-d3 3 3 99.3 98

Acridine-dg 9 9 96.7 71 Ani sole-2, 4, 6 -d 3 3 3 96.1 38

Anthracene-dio 10 10 99.4 94

Benzoic-ds acid 5 5 99.4 97

Bi sphenol -A-di 4. 16 14 98.6 31

8 romoethane-d 5 5 5 99.3 97

t-3utanol -dg 10 9 99.5 94

n-Butylamine-dg 9 9 99.3 94

n-Butyric-d 7 acid 7 7 99.3 95

Chi orobenzene-d 5 5 5 99.4 97

n-Decane-d 22 22 22 99.4 87

Diethyl ether-dio 10 10 99.6 96

Di-n-octyl ether-d 34. 34 34 99.7 94

Mono-n-dodecyl phosphate-d 2 s 25 25 99.4 85

Ethanol -d 5 6 5 99.0 95

Hexamethyl enetetrami ne-di 2 12 12 99.8 98

Naphtha! ene-dg 8 8 98.6 39

2 -Naphthal enesul fonic acid-d 7 7 7 98.6 37

Ni trobenzene-d; 5 5 99.0 95

2-Phenyl ethyl -1 ,1 ,2,2-d 4 -amine 4 4 99.2 97

Phenol -ds 6 5 98.5 92

o-Xyl ene-dio 10 10 99.4 94

a As used for spectra.

bror labeled positions after exchange.

4
Mass Spectra

Compound Page No.

Acetonitrile-d 3 6

Acridine-dg 8

Anisole-2,4,6-d 3 10

Anthracene-dio 12

Benzoic-ds acid 14

Bisphenol-A-dm. 16

Bisphenol -A-dm , bi s( trimethyl silyl ) ether 19

Bromoethane-ds 22

t-Butanol-dg 24

n-Butylamine-dg 26

n-Butyric-d? acid 28

Chlorobenzene-ds 30

n-0ecane-d 2 2 32

Diethyl ether-di 0 34

Di-n-octyl ether-d,^ 36

Mono-n-dodecyl phosphate-d 2S , bi s( trimethyl si 1 y 1 ) ether 38

Ethanol -d 5 42

Hexamethyl enet.etramine-di 2 44

Naphtha! ene-dg 46

2-Naphtha 1 enesul fonic acid-d 7 48

Ni trobenzene-d 5 50

2-Phenyl ethyl -1 ,1 ,2, 2-d* -amine 52

Phenol -ds 54

o-Xylene-dio 56

5
9 9 O 9- 9 < Ut 3* fO (U ••

' 1 1 1 1 ' 11 " 1 ' 1 ' " m n ‘ > ' < ' 1 ' 1 1 1 1 1 " 1 1

1

" 1 1 1 " L1

1

r* o

: cu

: o

: Lft

9

; 9

TD

<U

C

o

4-> 0>o<

u

<DQ.

oo

00

00

<T3

1 W» 1

o o o o ^ co o o

U1 T

o o

6
Mass Spectrum of

Acetoni trile-d 3

OK I/BflSE 11033

S 1 . 57 '/. 13. 0 6 0. 64* 21 . 0 7 0. 26* 24. 0 8 1 . 23* 26. 0 9 1 . 38* 23. 0

l 0 2. 27* 30. 0 12 4.5 7* 33. 0 13 0. 19* 39. 0

1 4 12. oo* 40. 0 IS 0. 32* 41.0

1 6 42. 96* 42. 0 17 3. 09* 43. 0

1 3 1 0 0. 0 0 * 44. 0

1 9 2. 49* 4 5 . 0 20 0. 33* 46. 0

7
001

CO

CO

Si

CM

oo

Si

CO

Si

CM

Si

cn

t s

i-s

m i

|

i i i i

|

i i i 1'j'i i i i |~

i

—i~r"

i "

|

t—r~i—

r

~j

~ S2 S S3 S Si Si

CO CO LD CO

CO

CD

si

CM

£S

CO

CO

CO

s>

CO

Si

CO

S3

^r

Si

CM

S3

Si si

3

Mass

Spectrum

of

Acridine-d

3

Inlet:

Probe

32

°C,

Ions

at

half-integer

masses

omitted.
3

3

10

11

13

IS

16

17

21

22

23

24

25

26

27

32

33

34

35

36

37

38

40

44

45

46

47

48

49

50

51

52

53

54

56

58

59

60

61

62

S3

64

65

69

70

71

Mass Spectrum of Acridine-d 9 Inlet: Probe 32 °C, Ions at half-integer masses omitted.

MASS 3 PEAK* MASS B

13. 4 . 58 72 103 . 0 . 21

28. 1 . 15 73 104 . 0 . 80

30 . 0 . 36 74 10S . 0 . 23

32. 0 . 14 75 106 . 1 . 05

38. 0 . 23 76 107. 0 . 30

40 . 0 . 46 77 103 . 0 . 37

41 . 0 . 27 80 112 . 0 . 11

42 . 2 . 05 32 114 . 0 . 17

50. 0 . 14 34 116 . 0 . 10

51 . 0 . 27 85 117 . 0 . 27

52 . 2 . 97 86 118. 1 . 17

53. 0 . 44 37

‘ 119 . 0 . 13

54. 2 . 75 38 120 . 0 . 10

55. 0 . 22 90 122 . 0 . 27

56. 0 . 49 93 126. 0 . 12

62. 0 . 80 95 128 . 0 . 26

S3. 0 . 30 96 129 . 0 . 41

64. 1 . 76 97 130 . 1 . 95

65. 1 .01 98 131 . 1 . 21

66. 7 . 64 99 132 . 3 . 82

67. 0 . 24 100 133 . 0 . 66

68 . 0 . 27 101 134 . 0 ., 91

70 . 0 . 19 102 135 . 0 . 24

74 . 0 . 14 103 136 . 0 , 46

75. 0 . 19 106 142 . 0 ,, 30

76 . 2 . 13 108 144 . 0 ,, 12

77 . 0 . 78 109 145 . 0 .. 36

78 . 6 . 35 110 146 . 1 ,, 19

79 . 5 . 25 111 147 . 0 ,, 13

80 . 7 . 67 113 153 . 0 .. 12

81 . 0 . 43 114 154 . 0 ,. 75

32 . 1 . 23 115 155.. 1 , 11

83 . 0 . 13 116 156 . 4 . 73

34 . 0 . IS 117 157 . 4 . 54

86 . 0 .13 113 153 . 13 . S3

88 . 0 . 62 119 159 . 5 . 17

89 . 0 . 17 120 160 . 9 . 64

90 . 1 . 05 121 161 . 4X . 46

91 . 0 . 40 1 22 162 . 0 . 73

92 . 2 . 97 124 169 . 0 . 11

93 . 20 .01 125 170 . 0 . 44

94 . 10 . 26 123 130 . 0 . 22

95 . 0 . IS' 129 181 . 0 . 26

100 . 0 . 67 130 182 . 1 . 14

101 . 0 . 15 131 133 . 1 . 80

102 . 0 . 90 132 184 . 6 . 33

133 185 . 9 . 46

134 186 . 29 . 04

135 187 . 45 . 35

136 138 . 100 . 00

137 189 . 13 . 94

138 190 . 0 . 32

9
III o0

01

cn

Oo

10

Mass

Spectrum

of

Anisole-2,4,6-d
Mass Spectrum of Ani sole-2,

4

s 6-d 3

PEAK I / 9 fl S E

3 0.10/2

6 0. 137. 7 0. 537

3 1.317

9 9 . 267

1 0 1 . 337

1 l 0. 237

12 0 . 13 7 13 1.977

14 0.407

IS 0. 637

16 0. 437

17 0. 997

13 2.707

19 5 . 0 37

20 14. 327

21 22. 227

22 2. 9 77

23 0 . 367

24 0. 2 37. 25 0. 577

26 2. 127

27 7.397

23 12.237.

29 13 . 647

30 5. 187

31 1 . 367

32 0. 6 27

33 0. 267

34 0. 257

35 0.417.

36 1.11 7 37 1 . 357

33 2. 347

39 5 . 357

4 0 3. 927

4 1 1 1 . 627

42 63.707

43 4 . 177

44 0. 177

45 0.217

46 0. 7 37

47 1 . 637

4 8 1.517

49 1.007

50 2. 227.

5 1 3. 3 57

52 35 . 777

53 34.697

54 16.207

55 1.737

56 0. 137

53 0. 137

59 0 . 17 7 60 0.697

6 1 2. 397

62 11. 9 S 7. 63 0.937

6 5 0. 227

66 • 1 . 12 7 67 l 3 . 4 S 7 63 100. 007

69 7.417

70 0.467

MASS

20 . 0 25. 0. 26. 0 2

7.

0 23 0 23. 0 30. 0 3 1.0

32. 0 33. 0 34. 0 36. 0 37. 0 33. 0 39. 0 40. 0 4 1.0

42. 0 43. 0 43. 0 49. 0 50. 0 SI . 0 5 2 . 0 53. 0 54. 0 55. 0 36 . 0 57 . 0 6 0.0

6 1.0

62.

0 63. 0 64. 0 65. 0 66 . 0 67. 0 63. 0 69. 0 70. 0 73. 0 74. 0 7Z. 0 76 . 0 77. 0 73. 0 73 . 0 SO. 0 3 1. 0 32. 0 33. 0

3 . . 0

3 2. 0 93. 0 94. 0 95 . 0 96. 0 97.0

103.0

109.0

110.0

111.0

112.0

113.0

11
00I

12

Mass

Spectrum

of

Arithracene-di

0

Inlet:

Probe

40
Mass Spectrum of Anthracene-dx 0 Inlet: Probe 40 °C

PERK I-'SflSE rtflSS 3 0. 1 02 30. 0 S 0. 712 92. 0 7 0. 122 50. 0 9 0. 1 12 51. 0 9 1 . 1 02 52. 0

1 <? 0. 1 12 S3. 0

1 1 1. 092 59. 0 13 0. 192 56. 0 It 0. 992 62. 0 IS 0. S92 63. 0 16 1 . 212 69. 0 17 0. 262 65. 0 13 7. 382 66. 0 19 0. 362 67. 0 20 0. 112 63. 0 21 0. 172 70. 0 22 0. 122 79. 0 23 1 . 272 76. 0 29 0. 292 77. 0 2S 6. S92 73. 0 26 1 . 502 79. 0 2 7 2S. 302 30. 0 23 3. 2S2 31.0

29 0. 592 32. 0 31 0. 192 39. 0 33 0. 172 36. 0 39 0. 962 38. 0 36 1.912 90. 0 17 1 . 132 91.0

33 9. 022 92. 0 39 1 . 652 93. 0 90 19. 102 99. 0 91 2. 792 95. 0 92 0. S32 100.0

99 0. 972 1 02. 0 9S 0. 262 1 09. 0 96 0.312 1 06. 0 97 0. 372 1 03. 0 99 0. 152 112.0

SO 0. 172 119.0

SI 0. 292 113.0

S2 0. 322 122. 0 S3 0. 122 129. 0 S9 0. 192 126. 0 S5 0.112 128. 0 56 0. 932 130. 0 S7 0. 1 02 131.0

53 1.012 132. 0 59 0. 122 123. 0 60 0. 252 139. 0 be 3. 972 1 16. 0 6.3 0. 132 192. 0 66 0.312 196. 0 67 0. 1 32 197. 0 69 0.312 1 S 9 . 0 70 0. -.92 155. 0 71 9. 332 15 6. 0 72 1 . 062 1S7. 0 73 6. 922 15 3. 0 79 1 . S22 159. 0 75 3. 172 160 . a 76 l . 052 16 1.0 79 0. 192 163. 0 90 0. 902 170. 0 93 l . 022 130. 0 99 0. 262 1 S 1 . 0 as l . 52 2 132. 0 36 1 . 9 72 183. 0 37 IS. 392 139. 0 39 2. 372 1 8 S . 0 99 6. 592 186.0

90 11 3 72 137 0 9 l 1 0 0. 0 02 13 3. 0 92 19. 732 139.0

93 1.052 19 0. 0 9 5 0. 1 92 196. 0

13
001

O

|f rninrrjrnirjnrjniii jjnj;nm! o o o' O CO N.

_r

T

1"

i-1

ti -§

§. 4- 1

I"

i; jmlM" jiiihit i. jiLj iiiii; jTumifijljHiini^ninriJ’l 1 “

14

so

100

iso

£00

Mass

Spectrum

of

Benzoic-d

5

acid

Inlet:

Probe

34

°C
Mass Spectrum of Benzoic-d 5 acid

Inlet: Probe 34 °C

3K ixbase MASS

1 0. 187 26. 0 2 2. 52

7

23. 0 3 0 . 35* 29. 0 4 3. 047. 30. 0 5 0. 1 OK 31. 0 6 0. 157 36. 0 7 1 . 737 33. 0 3 0. 327 39. 0 3 4. 7S7 40. 0

l 0 4. 397 41.0

1 1 4. 127 42. 0 12 0. 427 43. C 13 1 . 567 45. 0 1* 0. 137 46. 0 IS 0. 127. 48. 0 16 3. 357. 50. 0 17 0. 337. 5 1.0

13 16. 14 7 52. 0 19 2. 337. 53. 0 20 36. 497 54. 0 2 1 6. 127 55. 0 22 1.607 5 6 . 0 23 0. 127. 57. 0 24 0. 237 53. 0 26 0. 457 62. 0 27 0. 1 07 63. 0 23 l . 637 64. 0 29 0 . 347. 65. 0 30 0.6 17 6.6. C 31 0. 137 67. 0 32 0. 137 63. 0 33 1 . 227 6 9.0

34 0 . 4 7 7 70. 0 35 1.417 71.0

37 0. 6 97 74. 0 38 0 . 15 7 75. 0 39 3. 457 76. 0 'to 0. 327 77. 0 4 1 1 . 7 07 73. 0 42 0 . 4 77 79. 0 43 3. 397 30. 0 44 6. 967 31.0

45 75 . 347 32. 0 46 6 . 9 27 S3. 0 47 0 . 5 9 7 34. 0 43 0 . 257 97. 0 49 0 . 16 7, 93. 0 50 2 . 4 9 7. 99. 0 SI 0 . 1 37 10 0.0

S3 l . 467 103.0

54 34. 147 10 9. 0 S 5 9 0 . 377 110.0

56 6. 77

7

1 t 1 . 0 57 0 . 4 0 7 112.0

S3 0.43 7. 125. 0 S 9 3.217 126.0

6 0 100. 007 127. 0 61 3. 0 77 123. 0 62 0. 707 129. 0

15
16

Mass

Spectrum

of

Bisphenol-A-dm

Inlet:

Probe

79
Mass Spectrum of Bisphenol-A-di^

Inlet: Probe 79 °C

PEAK I/aftSE nass

1 0. 59% 19. 0 31 9. 70% 112.

3 0. 15% 29. 0 82 9. 95%. 1 13.

9 1.19% 30. 0 a3 1. 73% 119.

S 0. 36% 3i. a 89 0. 22% 1 IS. 6 0. 13% 33. 0 35 0. 13% 116.

7 0. 16% 39. 0 86 0. 13% 117.

9 0. 1 0% 36. 3 87 0. 15% 113.

9 0. 19% 38. 0 38 0. 61% 119.

19 0. 1 1% 39. 0 39 0. 99% 120.

11 2. 91% 91. 0 90 3. 97% 121.

12 3. 78% 92. 0 91 2. 3S% 122.

13 - 0. 32% 93 . a 92 1. 36% 123.

It 1 . 92% 95. a 93 6. 1 0% 129.

IS 3. 39% 96. 0 99 29. 39% 1 25

.

16 0. 19% 97. 0 95 7. 19% 126.

17 a. 16 % 98. 0 96 1. 99% 127.

ia a. 26 % 99. 0 97 Q. 33% 123.

19 a. 16 % so. a 98 0. 21% 128.

20 a. 21 % si. a 100 a. 13 % 131

.

21 0. 37% 52. a 1 01 0. 26% 132.

22 0. 93% 53. 0 1 02 0. 53% 133.

23 2. 26% 59. 0 1 03 0. 63% 139.

29 0. 26% 55. a 1 09 0. 75% 135.

25 0 . 37% 56. 0 i as 0. 79% 136.

26 1 . 22% 57. a 1 06 a. 77% 137.

27 3. 97% 53. a 1 07 0. 30% 133.

23 0. 93% 59. 0 1 08 a. 19 % 139.

29 a. 59% 60. a 1 09 0.16% 190.

30 1 . 19% 61.0 1 1 0 0. 90% 191 . 31 0. 59% 62 . a 111 a. 39 % 192.

32 0. 27% 63. 0 112 0. 57% 193.

33 a. 58% 69. 0 113 1.11 % 199.

3* 1. 1S% 65. a 119 3. 91% 195.

35 2. 38% 66. a 115 1 . 11% 1 96". 36 0. 98% 67. a 116 0. 96% 197.

37 1 . 79% 63. a 1 17 0. 79% 198.

38 5. 62% 69. 0 113 1.30% 199.

39 3. 56% 70. 0 1 19 0. 70% 150.

90 0. 73% 7i. a 120 0. 52% 151

.

91 1 . as% 72. 0 121 0. 69% 152.

92 1 . 98% 73 . a 122 a. 66% 153.

93 1. 65% 79. a 123 0.20% 159.

99 1.31% 75. 0 129 a. 16 % 155.

93 0. 96% 76. a 125 0. 32% 156.

96 a. 37 % 77. 0 126 a. 56% 157.

97 1 . 35% 73 . a 127 1. 03% 153.

98 2. 06% 79. a 123 1 . 53% 1 S 9

.

99 9. 97% 30. 0 129 l . 93% 160.

SO 2. 97% 31. 0 130 0. 92% 16 1. 51 3. 97% 32. a 131 0. 59% 162.

52 1 . ao% 33. 0 132 0. 29% 163.

S3 1 . 07% 39. 0 133 0. 98% 169.

59 1. 94% 35 . a 139 0. 33% 165.

55 3. 33% 36. a 135 a. 38% 166.

56 2. 71% 87. a 136 a. 31% 167.

57 2. 99% aa. a 137 a. 20 % 163.

58 1 . 67% 89. 0 138 a. 13 % 169.

59 a. 79% 90. a 139 a. 22 % 170.

60 3. 62% 91.0 190 a. 29% 171 . 61 1 . 3 7% 92. a 191 a. 35 % 172.

62 3 6% 93. a 192 t . ?%>: 173.

63 6. 6 9% 99. 0 193 1 . 97% 179 . 69 1 . 3 9% 95. 0 199 1 . 3 2% 17S.

65 3. 32% 96. a 19S 2. 90% 176 . 66 10. 72% 97 . a 196 3. 53% 177.

67 9.20% 98. 0 197 1.59% 178.

68 1. !3% 99. 0 193 0. 99% 179.

69 0. 73% 100.0 199 0.51% 130.

7 0 1 . 57% 101.0 ISO 0. 32% 131.

71 3. 53% i aa. a 151 a. 28 % 132.

72 13. 69% 1 03. a 152 0.60% 133.

73 9. 68% 1 09 . 0 1 S3 1.10% 139.

79 l . 35% 1 05. 0 159 1. 19% 135.

75 1 0 9% 106.0 155 a . 7 i % 136.

76 a. 32% t 07. 0 1S6 a. 39 % 1 37.

77 a. 93 % 108. 0 1S7 0. 57% 1 38.

73 1 . 09% 109.0 153 l . 02% 139.

79 1.90% u o. a 1 S 9 0. 97% 19 0. 90 l . 27% 111.0 160 0.30% 19 1. 161 0. 55% 192.

162 1.29% 193

163 0. 63% 199.

169 0 . '=>6% 195.

1 65 a. 6 6% 19b

166 0. 33% 197.

1 (fS a . i 9% 2 0 0.

1 69 0.29% 2 0 1. 170 0. 37% 2 0 2. 171 1.03% 2 03.

a

a

, o

, o

a

o

o0

a

a

90

a

o

0

0

a

ao

3

0

a

ao

aa

aa

a

o

0

a

aa

a

aa

aa

aa

oa

aa

a

aa

aa

a

aa

a

a

a

aa

a

aa

a

a

a

a

ao

aa

a

aa

a

aa

a

aa

a

aa

a

aa

3

a

aa

a
Mass Spectrum of Bisphenol-A-d ! w Inlet: Probe 79 °C

172 3. 44* 294. 9

l 73 3. 79* 295. 9 174 3. 28* 296. 9 i7S 1 . 482 207. 9

1 76 a. 49* 293. 9 177 0. 22* 209. 9 179 0. 22* 212. 9 130 9 . 69 * 213. 9 131 9. 17* 214. 9 133 9. 167. 219. 0 134 9. 74* 220. 9 135 2. 17* 221 . a 136 6. 6 9* 222. 9 137 29. 43* 223. 0 138 1 90. 9 9* 224. 9 139 39. 36* 225. 9 190 5. 12* 226 . 0 191 9. 54* 227. 9 192 9. 13* 233. 0 193 9. 59* 239. 9 194 2. 32* 249. a 195 1 9. 94* 241 . 0 196 3 9.4 9* 242. 0 197 9. 25* 243. 9 198 1 . 55* 244. 0 199 9.16* 245. 9
19

Mass

Spectrum

of

Bispheno]-A-di

i,,

bis(

triinethyl si

ly1)

ether

Inlet:

Probe

46
Mass Spectrum of

Bisphenol-A-dit , bfsCtrimethy-lsfly-l J ether

Inlet: Probe 46 °C

PERK X'SflSE mass

* 0. 33% 13. 0 96 0. 30% 131. 0 6 0.11% 20. 0 97 0. 2t% 132. 0 3 0. 17% 26. 0 98 0. 35% 133. 0 3 0. 20% 27. 0 99 0. 22% I3t. 0 12 0. 1 0% 31. 0 100 Q. 11% 135. 0 13 0. 96% 38. 0 101 0. 15% 136. 0 it 2. 13% 39. 0 1 02 0. 2t-% 137. 0 IS 6. 98% to. 0 1 03 o. to% 133. 0 16 It. 55% tl . 0 i at 0. 95% 139. 0 17 0. 1 8% t2. 0 1 05 0. t8% ito. 0 13 0. 76% t3. 0 1 06 0. lt% ltl . 0 13 0.90% tt. 0 1 07 0. lt% 1 12 . 0 20 S. 73% ts. 0 1 08 0. tt% lt3. Q 21 0. 63% t6 . 0 1 09 0. 1 1% ltt. 0 22 0. t3% t7 . 0 1 1 a 0. 23% its. 0 23 0. 26% t8 . 0 l i l 0. 37% 1 16 . 0 2t 0. 17% t9 . 0 112 1 . to% lt7. 0 25 0. 30% 50. 0 113 1. 10% lt8. 0 26 0. 16% 51. 0 lit 0. 21% 1 1 9 . 0 27 0.10% 52. 0 115 0. 17% ISO. 0 23 0. 1 0% St. 0 116 0. 12% 151.0

31 0. 3t% S3. 0 117 0. 32% 152. 0 32 0. 35% 59. 0 113 1. 26% 153. 0 33 0. t6% 60. 0 1 19 0. 77% ISt. 0 3t 0. lt% 61.0 120 0. 77% 155. 0 35 0. 13% 62. 0 121 1. 36% 156. 0 36 0. 25% 63. 0 122 0. 31% 157. 0 37 0. 19% 66. 0 123 0. to% 153. 0 38 0. 36% 69. 0 1 2t 0. tt% 1S9. 0 33 0. 19% 70. 0 125 1 . 0 1 % 160. 0 to 0. 31% 71. 0 126 0. 52% 161.0

tl 0. 20% 72. 0 127 1. 0t% 162. 0 t2 5t . tt% 73. 0 123 0. 73% 163. 0 t3 t. 38% 7 1 . 0 129 0. 2t% 1 6 1 . 0 tt 3. lt% 7S . 0 130 0 . 1 1 % 165. 0 ts 2. 21% 76. 0 131 0. 27% 166. 0 t6 3. 16% 77. 0 132 0. 63% 167. 0 1

7

0. t2% 73. 0 133 1 . 77% 1 63. 0 t3 0. 21% 79. 0 13t 0.71% 169.0

t3 a. is% 30. 0 1 35 1.51% 1Z0. G 50 0. 16% 31.0 136 0.50% 171.0

SI 0. 33% 32. 0 137 0. 31% 172. 0 52 0 . 10% 33. 0 133 0. 3t% 173. a 53 0. t3% 3 1 . 0 139 0. 32% 1 7t . 0 St 3.20% 35. 0 ito 0. 23% 1 7S . 0 S5 0. 22% 36. 0 ltl t. 7S% 176. 0 56 0. IS% 37. 0 1 12 3. 5t

%

177. 0 57 0. 23% 9 1.0 1 13 9. 2t% 173. 0 53 0.10% 92. 0 ltt 0. 98% 179. 0 60 0.20% 9t . 0 its o: t2% 180. 0 61 0. t9% 95. 0 lt6 0. 22% 131.0

62 0. 3t% 96. 0 1 17 0. 20% 132. a 63 0. 33% 97. 0 its 0. 3S% 133. 0 6t 0. 3 1 % 98. 0 1 19 1 . 09% 1 3 1 . 0 65 0. 13% 99. 0 ISO 2. 65% 135. 0 66 0.21% 1 00. 0 151 a. 93% 136. 0 67 0. t3% 101.0 152 o. to% 137. 0 63 0. 15% 1 Ot. 0 153 o. to% 133. 0 71 0. 22% 106.0 15t 0. 15% 139. 0 72 0. 33% 107.0 1SS 0. 16% 190. 0 73 0. 39% 103.0 156 0. 10% 191. 0 7H 0. 29% 109.0 157 0. 22% 192. 0 7S 0. 3S% 110.0 153 0. 66% 193. 0 76 0. 33% 111.0 159 0. 16% 1 9t . 0 77 0.2 2% 112.0 160 0. 13% 195. 0 73 0. 96% 113.0 161 0. 66% 196. 0 73 0. 22% l It. 0 1 62 t. ts% 197. 0 31 0. 22% 116.0 163 1. 03% 198. 0 9t 0. 15% 119. 0 1 6

1

0. t8% 199. 0 35 1 . 05% 120. 0 165 0. 38% 200. 0 36 0. t2% 121. 0 166 0. 27% 201.0

37 0. 6t% 122. 0 167 0. 25% 202. 0 33 0. 56% 123. 0 1 63 0. 13% • 203. 0 33 0. 33% 12t. 0 169 0 . 1 1 % 2 Ot . 0 90 0. 96% 125. 0 170 0.10% 205. 0 91 0. 38% 126. 0 171 0. lt% 206. 0 92 0.10% 127. 0 172 0. 12% 207. 0 93 0. 15% 123. 0 177 0. 13% 213. 0 9 t 0.13% 129.0 173 0. 15% 2 1 1 . 0 95 0. 19% 13 0.0 179 0. 26% 2 IS. 0

1 3 0 l . s a % 216. 0

l 3 1 9. 35% 217. 0

1 32 l . 72% 219. 0 133 0 . 6 t % 819. 0

i at 0. IS% 22 0. 0

t 37 0. 13% 227. 0

1 S3 0. 12% 229. 0 139 0.11% 229. Q 190 0. lt% 230. 0
Mass Spectrum of

Bisphenol-A-d llt , bis (trimethyl si lyl ) ether

Inlet: Probe 46

191 0. 20* 231.

0

192 0. 112 232. 0 19? 0. 122 292. 0 198 0. 232 293. 0 199 0. 192 299. 0 200 0. 112 295. 0 201 0. 132 296. 0 202 0. 132 297. 0 209 0. 112 299. 0 206 0. 1 02 252. 0 207 0. 112 257. a 2 08 0. 192 253. 0 209 0. 172 259. 0 21 0 0. 292 260. 0 211 0. 312 261. 0 212 0. 202 262. 0 213 0. 362 263. a 219 0. 122 269. 0 215 0. 1 02 265. 0 217 0. 1 12 279. 0 213 0. 162 27S. 0 219 a. 222 276. 0 220 0. 322 277. 0 221 0. 162 273. 0 222 0. 992 279. 0 223 0. 6 02 230. 0 229 3. 152 231. 0 228 0. 132 293. 0 23 0 0. 202 . 295. 0 231 0. 352 296. 0 232 0. 152 297. 0 233 0. 1 02 298. 0 235 0. 222 313. 0 233 0. 1 02 320. 0 290 0. 192 335. 0 291 0. 122 337. 0 292 0. S12 333. 0 293 0. 192 339. 0 295 0.112 397. 0 296 0. 362 393. 0 297 0. 372 399. 0 298 0. 562 35 0. 0 299 0. 9 02 351 . 0 250 0. 162 352. 0 251 0.112 3S9. 0 2S3 0. 322 365. a 2S9 2. 1S2 366. 0 255 21. 132 367. 0 256 100. 002 363. 0 2S7 32. 272 369. 0 253 12. 222 370. 0 259 6. 362 371 . 0 260 1 . 692 372. 0 261 0. 512 373. 0 262 0. 102 379. 0 263 0. 1 12 333. 0 269 0. 902 389. 0 265 6. 992 385 . 0 266 26. 972 38 6. 0 2 67 8. 332 337. 0 r.'68 3.112 233. 0 2 A 9 0. 692 389. 0

c 7 0 0. 112 39 0. 0

21
100

_

<3

CO

Si

(3

C\J

3

CO

3

CD CO CO in CO C\J

22

Mass

Spectrum

of

Bromoethane-ds

Ions

at

half-integer

masses

omitted.
Mass Spectrum of Bromoethane-d 5 Ions at half-integer mass omitted.

K* HASS B

4 13 . 20 . 43

5 19 . 0 . 82

6 20 . 0 . 46

7 24 . 0 . 55

9 26 . 3 . 04

10 27 . 0 . 46

11 28 . 55 . 39

12 29 . 2 . 44

13 30 . 77 . 75

14 31 . 2 . 14

15 32 . 20.41

IS 33 . 3 . 56

17 34 . 93 . 42

13 35 . 2 . 15

19 36 . 0.11

21 40 . 0 . 62

22 41 , 0 . 25

23 42 , 0 , 28

25 44 . 0 . 64

26 46 , 0.61

22 50 . 0 . 34

33 66 . 0 . 67

34 69 . 0.11

35 79 . 4 . 29

36 80 . 0 . 92

37 31 . 6 . 25

32 32 . 0 . 33

39 83 , 2 . 26

40 85 , 0 . 17

41 91 . 1 . 08

42 93 . 1 . 35

43 95 . 4 . S3

44 95 . 0.16

45 5? . 4.01

43 105 . 0 . 63

49 107 . 0 . 30

51 109 . 0 . 55

52 111. 1.14

53 112. 3 . 60

54 113 . 100 . 00

5b 114. 5 . 46

56 115 . 95 . 98

57 116 . 2 . 22

23
100

O

—

L

E

|i J1 1 nVTt

[

I iii i Ij fi I » u i niTq 1! Jill ll!]l Itlf - ’ rr ji u i i i: ; II Unij'l ini li n

j oooooooooo[in rm i| O09fs.^Ul^na4^

24

Mass

Spectrum

of

t-Butanol-dg

Observed

M

,

m/z

83

(0.09%)
Mass Spectrum of t-Sutanol-d*

Observed M

+

’, m/z 83 (0.09%)

PEAK I/SASE HASS

3 0. 322 22. 0 3 0.112 2S. 0

i a 0. 542 26. 0

1

1

0. 532 27. 0 12 13. 352 28. 0 13 0. 572 23. 0 14 3. 082 30. 0 15 0. 132 31.0

16 1. 0 72 32. 0 1? 26.382 33. 0 13 7. 862 34. 0 13 0.212 35. 0 20 0.232 38. 0 21 0. 122 33. 0 22 0.632 40. 0 23 0. 232 4 1.0

24 4. 372 42. 0 25 0. 272 43. 0 26 2. 222 44. a 2 7 2. 162 45. 0 28 18. 002 46. 0 23 0. 622 47. 0 30 0. 262 43. 0 31 0. 382 43. 0 32 0. 122 SO. 0 33 0. 252 52. 0 34 0. 202 54. 0 36 0 . 10 2 56. 0 37 0 . 242 58. 0 38 0. 332 6 1.0

33 1 . 232 62. 0 4 0 0. 332 63. 0 41 4 . 782 64. 0 42 100. 002 6 5 . 0 43 l 0. 372 66. 0 44 0. 652 67. 0

25
o o

U1 oT

o

N. * PH 01

i » t n i mmiiinintimiiniiiiiiMi t ti tntt 11 Lin ttt iiLimi ntmiitmt O

5 01

5

O

S in 1-

| in,irii i; |miii ii n;iimii.,j :ffiTin : )ifi i iiii.|.iniiu.j,iiiH')inuii:ii i ;|.i.i.i in, [.i ii ifiTij^ o o W 3

-

26

Mass

Spectrum

of

n-Butylamine-
Mass Spectrum of

n-Butylamine-dg

f»K I/8flSE nfiss

2 l . 55

20. 0 3 0.30* 21. 0 5 0. 13* 27. 0 6 3. 23* 29. 0 7 3. 54* 30. 0 3 2. 09* 31.0

9 100. 00* 32. 0

i a 9. 34* 33. 0

i i H. 32* 34. 0 12 0.10* 35. 0 16 t . 29* 42. 0 17 0. 13* 43. 0 13 0. 62* 45. 0 19 2. 23* 46. 0 2 0 0.30* 47. 0 21 1 . 33* 43. 0 22 0. 34* 49. 0 23 0. 37* 5 0 . 0 24 0. 13* 51.0

29 0.21* 60. 0 30 0 . 10* 6 1.0

31 0. 36* 62. 0 32 0. 33* 64. 0 33 0. 33* 30. 0 34 0. 55* 3 1.0

35 7. 96* 32. 0 36 0. 62* 83. 0

27
I

I

I

I

j

I

jnTliini|nniim|!i4iiiiIljIliftini|Uk!nin|i ii linn jhiimiijNiwi/jj ^'!TI 1II1II|IZS!IS(!(

j

o

co o

N

O

in oT

Om

23
Mass' Spectrum of n-Butyric-d 7 acid

PEAK I/BASE flflSS

i 0 0. 147 26. 0

1 1 0. 1 87 27. 0 12 6. 4 27. 23. 0 13 1 . 737 29. 0 14 15. 487 30. 0 IS 0. 777 31.0

16 2.3 17 32. 0 17 2. 337 33. 0 18 5. 127 34. 0 19 0. 127 35. 0 20 0. 1 07 36. 0 21 0.317 38. 0 22 0. 687 40. 0 23 0. 377 41. 0 24 4. 327 42. 0 25 0. 397 43. 0 26 9 . 647 44. 0 27 S. 417 45. 0 23 12. 747 46. 0 21 0. 387 47. 0 30 3. 197 43. 0 31 2. 077 49. 0 32 10. 737 50. 0 33 0. 367 SI . 0 35 0. 197 57. 0 36 3. 947 53. 0 37 0.147 59. 0 33 0. 167 61.0

31 3. 6 97 62. 0 10 100. 007 63. 0 HI 6. 1 07 64. 0 H2 0. 737 65. 0 HH 0. 497 74. 0 46 1 . 27 7 76. 0 47 23. 767 77. 0 43 2. 367 73. 0 48 0. 237 79. 0 50 0. 927 93. 0 51 0. 357 94. 0 52 4 . 747 95. 0 S3 0.4 07 96. 0

29
X

00

o o O

CM -•

JE

c

t

*r

1

1 n n m * i pTT i r n n

1

1 1 1 1 m 1 1

1

j ' i r i j n r

1

1

’ ? ; i n 1

1

{ p oooooooooo mimnnin rrn'jTmnnrrnTTTTTiTp ittti rri’

wF

30

Mass

Spectrum

of

Chlorobenzene-d
Mass Spectrum of Chlorobenzene-d 5

PEAK I^BASE mas:

2 0 . 1 37. 19 . 0 4 0. 267 24. 0 5 0. 12 7. 25. 0 6 1

.

0 8 7. 26. 0 7 0. 62 7. 27 . 0 3 6. 98 7. 23. 0

1 0 3. 367 30. a 12 1 . 54 7. 32. 0 13 0. 297 35. 0 14 1

.

03 7. 36. 0 15 0. 2 07. 37. 0 16 5 . 1 27. 33. 0 1? 1

.

317 39. 0 13 1 1 . 95 7. 4 0 . 0 19 1

.

3 4 7. 4 1 . 0 20 3. 447 42. 0 2 1 0 . 137 43. 0 22 0 . 2 07 44 . 0 23 0. 3 07 47. 0 24 0 . 9 97 43. 0 £5 Q . 157 49 . 0 2 6 5 . 7S7 SO. 0 27 0 . 537 5 1 . 0 29 23. 6 97 52. 0 29 1 . 737 53. 0 3 0 33. S 27 54. 0 31 1 . 477 55 . 0 32 0 . 397 56. 0 33 0 . 227 S 7 . 0 3 4 0 . 137 53. 0 35 3. 417 59 . 0 36 1 . 367 60. 0 37 0. 667 6 1 . 0 33 0 . 3 07 62. 0 39 ‘0. 6 07 63. 0 4 0 0 . 657 64 . 0 4 1 0 . 377 65. c 42 0 . 747 66. 0 43 0. 1 07 67. 0 44 0

.

1 57 72 . 0 45 3. 267 73. 0 46 1 . 7 4 7 74. 0 47 1 547 75. 0 4 S 6 . 1 57 76 . 0 49 0 . 5 6 7 77 . 0 50 4 . 147 73 . 0 5 1 0 . 37 7 79 . 0 52 3 . 2 07 SO. 0 53 2. 6 97 3 1 . 0 54 91 447 32. 3 55 6 . 057 S3. 0 5 6 0 . 177 34 . 0 57 0 . 6 37 3 5 . 3 S3 0., 96 7 37. 0 6 0 0 .. 3 07 *3 9 . c 6 1 a

.

. 2 07 9 1 ., 0 62 o

.

177 99 0 64 3 . 337 1 1 S. a 65 3 . 0 77 116. 0 66 1 0 0 .0 07 117. 0 67 7 6 2 7 113. 0 6 S 32 32 7 119. 0 6 9 2 . 097 12 0. 0

31
i

i

!

L

i

i

o o o

OJ

fr Jb

| d^iii h j muii ti

|

i II lii Ui

| in /i < ! 11j

i u 11 Mil

j

i iH I'J tllj 1 1FTI Hi I

j 0000000 3000 . IT ITT I TTpT TX X JTIT'JTI IltUM|

o

U1

32

Mass

Spectrum

of

n-Decane-
Mass Spectrum of n-Oecane-d 22

flK I/SRSE nfiss

5 4. 16 7. 23. 0 6 0. 247. 29. 0 7 1 1 . 677. 30. 0 9 0. 347 31.0

9 2. 637 32. 0

1 0 0.6 17 33. 0

1 1 17. 147 34. 0 12 0. 377 35. 0 13 0. 2S7 33. 0 14 0. 557. 4 0.0

15 0 . 14 7. 4 1.0

16 6.397 42. 0

1 7 0 . 227. 43. 0 13 0 . 397 44. 0 19 1 . 027 45. 0 20 32. 007. 46 . 0 21 1 . 387 47. 0 22 9. 307 49. 0 23 4. 547 49. 0 24 39 . 637 50. 0 25 2.31 7 51.0

26 0. 137 52. 0 27 0. 197 54. 0 29 0. 797 53. 0 31 0 . 54 7 60. 0 32 0.437 6 1.0

33 8.947 62. 0 34 1.137 63. 0 35 14. 347 64. 0 36 6.617 65. 0 37 100. 007 66. 0 38 4 . 22 7 67. 0 4 1 0.267 74. 0 42 0. 277 76. 0 43 0.267 77. 0 44 3. 3 37 73. 0 45 0.907 7 9. 3 46 10.487 3 0.0

47 3. 057 3 1.0

48 34. 437 82. 0 49 l . 777 S3. 0 50 0. 327 92. 0 51 0 . 117 93. 0 52 1 . 0 S 7 94. 0 53 0 . 6 07 95. 0 54 7 . 2 4 7 96. 0 SS 2. 197 97. 0 56 19. 697 93. a 57 1.317 99.0

S3 0 . 367 110. 0 59 0.417 111.0

6 Q 4.337 112.0

6 1 0.377 113. a 62 5 . 5 9 7 114.0

63 0 . 4 27 115. 0 6 5 0. 19 7 127. 0 66 1 . 767 12 3. 0 67 0 . 5 17 12 9. 0 63 3.317 L 3 0 . 0 69 0 . 277 13 1.0

71 0.537 163. C 72 4.047 164.0

73 0.427 165.0

33
9 9

01

* * * L l 1 1L1-LL LI_.L LLL 1 L 1 T T t 1 I !. 1 I L 1 1 1 I 9

(VI

S— o

i 2

i

t_

t

E.

£

r

—

|TT>T! m > if r mi i m : ji rrmn

| rrrn r i

;

: i t t; i nr^ :t: i i rr,

: j rr : : mi !

r. 'HTrp i r: : in i ; : ; i n

: [

~ o ®

GO .9IN. O ®nJ ltj o o o

a- n oj

34

Mass

Spectrum

of

Diethyl

ether-d
Mass Spectrum of Diethyl ether-dj

9

:rk I/BflSE MASS

3 0. 957 19.0

4 0. 337. 20. 0 3 1 . 697 22. 0 6 0. 1 27 24. 0 7 0. 627 26. 0 3 0. 127 27. 0 9 33. 177 23. 0

1 0 0 . 757 £9. 0

1 1 11. 947 30. 0 12 0.317 3 1.0

l 3 13. 337 32. 0

1

*4 1 . 547 33. 0 IS 100. 007 34. 0 16 1 . 0 77 35. 0

1 7 0.237 36. 0 13 0 . 277 33. 0 20 1 . 237 40. 0 21 0 . 107 4 1.0

22 0 . 7 9 7 42. 0 2 3 0.107 43. 0 24 0 . 4 3 7 44. 0 2 S 0 . 19 7 <+5. 0 26 9 . 7 0 7 46.0

27 0.367 4 7. 0 23 0.467 43. 0 29 0 . 327 4 9. 0 30 16. 147 50. 0 3 1 0 . 4 5 7 51.0

32 0. 177 54. 0 33 0 . 167 62. 0 34 0.797 6 5. 0 35 23 . 377 66. 0 36 0 . 9 07 67. 0 33 0. 177 69.0

39 1.007 - 82. 0 40 0. 7C7 S3. 0 4 1 IS. 727 34.0

42 0 . 737 35. 0 43 0. 267 96. 0

35
o o

36

Mass

Spectrum

of

Di-n-octy]

ether-d

34

Observed

M

,

m/z

278

(0.08%)
23

3

5

7

3

3

I 0

1 1 12

13

13

IS

16

17

13

13

20

21

22

23

24

25

26

27

23

23

3 0 31

32

33

3H

35

36

37

38

33

3 0 3 1 32

33

33

35

36

37

33

SO

51

52

53

53

S 5 56

57

53

53

60

61

62

63

63

65

66

67

63

63

7 0 7 1 72

73

73

Mass Spectrum of Di-n-octylether-d 3l4, Observed M

+

, m/z 278 (0.08%)

I/BflSE nnss PEAK I/89SE

0. 607 19. 0 7S 3. 687

o. 19 y. 21.0 76 23.917

a. uy. 22. 0 77 3. 3 37

0. IS 7. 23. 0 73 3. 53 7

0. 35 7. 26. 0 79 0. 567

0. 36 7. 27. 0 83 0. 177

2. 237 23. 0 35 0. 637

0. 65 7. 29. 0 36 0. 18 7 13. 3351 30. 0 37 0. 377

0. 7251 31.0 33 0. 5 57

2. 177. 33. 0 89 2. 637

20. 237 33. 0 90 0. 7 57

0. 367 35. 0 91 1.717

0. 267 36. 0 92 0. 657

0. 1 07 37. 0 93 1 . 277

1 . 067 33. 0 93 0 . 117

0. 257 39. 0 96 0. 237

1 . 037 3 0.0 98 0 . 167

1 . 2S7 31.0 99 0 . 19 7 12. 337 32. 0 100 0 . 7 7 7

l . 357 33. 0 1 Q1 0. 337

1 . 327 39. 0 1 02 3 . 6 1 .7 5. 0 17 35. 0 1 03 1 . 637

33. 757 36. 0 1 03 6.337

3 . 0 0 7 37. 0 1 05 1 . 677

13. 567 33. 0 1 06 7. 337

1 0. 237 39. 0 1 07 0. 367

63. 357 SO. 0 1 09 0. 167

2. 087 51.0 1 1 0 0. 237

0 . 6 3 7 52 . 0 1 1 1 0.397

0. 127 53. 0 112 0. 327

0. 737 53. 0 113 0. 637

0. 227 55. 0 1 IS 0 . 1 07

0 . 377 56. 0 1 1 6 0. 667

1 . 027 57. 0 1 19 0 . 117

2. 3 97 53. 0 120 0.217

0.9 17 59. 0 121 0. 137

3. 277 60. 0 122 0.337

3. 557 6 1.0 1 23 0. 167

23. 727 62. 0 123 0 . 16 7

7. 177 63. 0 127 0 . 19 7 39. 627 63 . 0 123 0 . 377

16. 687 65 . 0 129 0 . S 3 7 100. 007 66. 0 131 0. 127

3 . 277 67. 0 1. 33 7 69. 0 0. 4S7 70.0

0. 3 77 71.0

0. 677 72. 3 0.637 71 . 0 3.327 79 , 0

1 . 337 7 S . 0 9.507 76. 0 9 . 327 77. 0 3 1 . 357 7 3. 0 5.7 67 79. 0 29 . 707 30. 0 12. 577 3 1.0

30. 357 32. 0 3. 167 83. 0 0. 137 33. 0 0. 277 35. 0 0. 3 77 36. 0 0. 157 37. 0 0. 237 33. 0 0. 937 39. 0 2. 127 90. 0

1 . 177 9 1.0

3.717 92. 0 3. 127 93 . 0 19. 777 94.0

ttflSS 35 . 0 36. 0 37. 0 33. 0 33 . 0

1 05 . 0 106.0

107.0

1 03. 0 103.0

110.0

111.0

112.0

113.0

113.0

1 IS. 0 113.0

122 . 0 123. 0 123. 0 125. 0 126. 0

127.

0

1 23. 0 123. 0 130. 0 131.0

132 . 0 133. 0 133.0

135. 0 136. 0 133.0

150.0

153. 0 160.0

16 1.0

162. 0 169. 0 13 1.0

193.0

13 5. 0 196. 0 210.0

37
22

T—

t AAA II II II A

II 2

in

CM

<22

CM

i i i

I

i i i i

|

i i ; i

I

i i i i

I nnT'j

2 2 2 2 2

cn a i>- co m

2 2 2 ^ m cm

- 2

T-in

- 2-2

P 2

_j in

1

'

*

'

i

2 2

2

38

Mass

Spectrum

of

Mono-n-dodecylphosphate-cbs

,

bis(trimethylsilyl

)ether
100

Si

r si

- in

- (3

-un

-

- si -Si

-

-- Si

-in

h on

(- on

=r

u

j

I i i i

|

i i i rj f i i

;

|

! S S S

CD CG OSi

cs>

I 1 I i

I Si

in

t hi i

j

i i m r S Si

s- on

l i i

!

|

; ' I i T“j

S S

C\J —

s

s

Ul

(\J

39

Mass

Spectrum

of

Mofio-n-dodecylphosphate-d

25

,

bis(

trimethylsHyl

)ether

Ir'et:

Gas

chromatograph
12

3

4

5

6

7

8

9

10

11

12

13

14

15

16

17

18

19

20

21

22

23

24

25

26

27

28

29

30

31

32

33

34

2 5

36

37

38

39

40

41

42

43

44

of Mono-n-dodecylphosphate-d 2S , bis( trimethyl silyl ) ether

Inlet: Gas chromatograph

MASS 3 PEAK* MASS B

28 . 3 . 70 47 120 . 0 . 10

30 . 0 . 30 43 121 . 0 . 30

32 . 1 . 00 49 124 . 0.10

34 . 1.10 50 131 . . 0 . 20

40 , 0.10 51 133 . 5 . 70

42 . 0 . 20 52 134 . 1 . 60

43 . 0.10 53 135 . 1 . 70

44 . 0 . 20 54 136 . 0 . 70

45 . 0 . 80 55 137 . 0 . 70

46 . 2 . 70 56 133 , 0 , 40

47 . 0 . 20 57 139 . 0.10

48 . 0 . 60 53 147 . 1 . 40

49 . 0 . 20 59 143 . 0 . 30

50 . 3 . 60 60 149 . 0 . 20

51 . 0 . 10 61 150 . 0.70

53 . 0.10 62 151 . 0 . 30

59 . 0 . 20 63 152 . 0.10

60 . 0 . 50 64 153 , 0 . 20

61 . 0.20 65 154 . 0 , 30

62 . 2 . 40 66 156 . 0.10

63 . 0 . 10 67 157 . 0 . 30

64 . 0 . 60 68 165 . 0 . 20

65 . 0 . 10 69 167 . 0 . 30

66 . 1 . 60 70 163 . 0.10

72 . O . 30 71 179 . 0 . 50

73 . 6 . 10 72 180 . 0.30

74 . 0 . 90 73 181 . 2 . 20

75 . 0 . 60 74 132 , 0.60

76 . 0 . 90 75 183 . 1*. 10

-5 *?

( < . 0 . 20 76 134 . 0 . 20

73 . 0 . 10 77 135 . 0 . 10

79 . 0.10 78 193 . 0 . 30

30 . 0 . 40 79 ' 19 5 , 0,60

82 . 0,50 30 196 , 0.30

90 . 0.10 81 197 . 1 . 50

92 . 0.10 32 < G S’ x — O . 2 . 20

93 . 0 . 10 33 199 . 0 . 50

94 . 0 . 50 3 4 2 0 0 . 0 . 20

96 , 0 . 20 35 207 , 0.10

93 . 0 . 20 3 S 209 . 0.10

103 . 0.20 87 210 . 0 , 20

105 . 0.10 S 3 211 . 53 . 5 0

110 . 0 . 20 89 212 . 17 . 50

115 , 0 . 20 90 213 , 6.30

117 . 0 . 10, 9 1 214 . 1 . 70

119 . 0 . 40 92 21 b, 0 . 30

93 2 1

6

. 0.10

94 223 . 0,10

95 225 . 3 . 30

96 226 , 1.10

97 227 . 1 . 50

98 223 . 60 . 20

99 229 . 12.50

40
Mass Spectrum of Mono-n-dodecyl phosphate-d 25 , bi s( trimethyl si lyl ) ether

Inlet: Gas chromatograph

AKS MASS B

100 230 . 6 . 40

101 231 . 1 . 20

102 232 . 0 . 30

103 239 . 0.10

104 240 . 0,10

105 242 . 0 . 60

106 243 . 0 . 50

107 244 . 3 . 40

10S 245 . 100 . 00

109 246 . 26 . 40

110 247 , 13.10

111 243 . 2 . 60

112 249 . 0.60

113 256 . 0 . 20

114 257 . 0 . 50

115 258 . 0 . 40

116 255 . 0 . 60

117 260 . 0 . 30

118 272 . 0.10

119 273 . 2 . 30

120 274 . 1 . 00

121 275 . 4 , 10

122 276 , 0 . 90

123 277 . 0 , 40

124 273 . 0 . 10

125 239 . 0 . 20

126 291 . 0 . 20

127 299 . 0.10

128 304 . 0.10

129 305 . 1.40

130 306 . 0 , 30

131 307 . 0 . 30

132 320 . 0 . 20

133 321 . 2.10

134 322 . 0 . 50

135 323 . 0 . 40

136 337 , 0 . 50

137 *5 n o J.jo , 0 . 10

138 353 . 0 . 50

139 354 . 0.10

1 40 355 . 0.10

141 363 . 0.10

142 369 . 0.70

143 370 , 0 . 20

144 371 . 0.10

145 384 . 0.10

146 335 . 0 . 30

147 336 , 0 , 20

1 4 3 387 . 0.10

149 0 0 . 0 . 1 0

150 4 01 , 0,60

151 402 . 0 . 20

152 417 . 0 . 20

PEAKS MASS B

153 413 . 0 . 30

154 419 . 1 . 60

155 420 . 11.10

156 421 .. 3 . 00

157 422 . 1.20

153 423 . 0 . 20

159 433 . 0.10

160 434 . 0 . 20

161 435 . 1 . 00

162 436 . 0 . 30

163 437 . 0.10

41
o o o

Si o

t

i.

o o

0 U1 oT n C\J -•

42

Mass

Spectrum

of

Fthano]-d
Mass Spectrum of Ethanol -d 5

PERK I/8RSE MASS

13 0. 777. 26. 0 It 1 . 077. 29. 0 15 IS. 437 30. 0

1 6 2. 187 31.0

17 1 0 0. 0 07 33. 0 13 6. 447 34. 0

1 3 0. 227 35. 0 20 0. 367 42. 0 21 0.247 43. 0 22 0. 747 44. 0 23 2. 197 45. 0 24 3. 227 46. 0 25 0. 377 47. 0 26 1.127 43. 0 27 26. 957 49. 0 23 1.637 5 0'. 0 29 20. 757 5 1.0

30 0. 747 52. 0

43
0

44

Mass

Spectrum

of

Hexamethylenetetrainine-dj

2

Inlet:

Probe

26
Mass Spectrum of

Hexamethy 1 enetetrami ne-d x

2

Inlet: Probe 26 °C

flK I/BflSE MASS

2 0 . 117. 26. 0 S 1 . 39 7. 30. 0 7 1 . 037 39. 0 9 0. 697 92. 0

1 1 3. 067 99. 0 12 0. 767 95. 0 13 100. 007 96. 0 19 2. 567 97. 0 IS 1 . 027 93. 0 16 1 . 257 SO. 0 17 0. 227 53. 0

1 3 0. 2 77 6 0.0

19 0. 187 6 1.0

20 1 . 237 62. 0 21 0. 177 69. 0 22 0. 297 66. 0 23 2.297 79. 0 29 0 . 107 7 S . 0 25 0 . 257 76. 0 26 3. 597 73. 0 27 0. 137 79. 0 29 0. 177 33. 0 30 9. 037 90. 0 31 0.217 9 1.0

32 1 . 557 92. 0 33 0 . 257 93. 0 39 10.867 99. 0 35 0. S77 95. 0 36 0 . 9 9 7 102.0

37 0 . 367 109.0

33 0.617 106.0

90 0.207 113.0

91 l . 5 9 7 120.0

92 0. 39 7 121.0

93 19. 197 122. 0 99 0. 907 123. 0 95 0 . 117 150. 0 96 1 . 227 151.0

9 7‘ 59. 697 152. 0 9 8 9 . 667 153. 0 99 0. 137 159. 0

45
46
Mass Spectrum of Naphtha! ene-d g

flK I/BflSE HflSS

i 0. 3 1 X 30. 0 3 1 . 44/1 42. 0 4 0. ISM 50. 0 5 3. 46M 52. 0 6 0. 35M 53. 0 7 15. 1 OM S4. 0 3 0. 3 6M S 5 . 0 9 0. 5 9

M

So. 0

1 1 0. 40M 52. 0 13 1 . 22M 54. 0 14 0. 2SM 5 5. 0 IS 5. SOM 55.0

16 0 . 79M 57. 0 17 12. 73M 63. 0 13 1 . 13M 69. 0 19 0. 15M 7 0.0

20 0 . 2 1 M 74. 0 22 2. 32M 75. 3 23 0. 30M 77. 0 24 3 . 1 1

M

73. a 25 0. 27M 79. 0 25 3. 02M 30. 0 27 0. 47M 31.0

23 4 . ISM 32. 0 29 0. S6M 33. 0 30 2. 52M 34. 0 31 0. 17M 35. 0 32 0. 12M 36. 3 33 0. 4 OM 33. 3 34 0. 69M 9 0. 0 35 0. 24

M

94. 0 37 0 . 4 S M 13 0.0

33 0. 22M 102.0

39 0. 37M 104.0

40 0 . 2 3 M l 05. 0 4 1 2. 36M 106.0

42 0. 9 7

M

1 07. 0 43 7. 23M 1 0 % . 0 44 0. 63M 1 0

r> . 0 45 0 . 2 0 M 113.3

49 0. 33" 130. 3 SO 0. 54 M 131. 0 51 5. 0 4M 12c . 0 52 1 . 73” 133. 0 53 10. 54

M

134. 0 54 1 5 . 3 4 Ji 135. 3 55 1 0 0. 0 0M 136. 0 S6 10. 5 4 M t3?. 0 57 0. 3 4

M

139. 3 60 0. 18M 150. 0

17
48

Mass

Spectrum

of

2-Naphthalenesulfonic

acid-4?

Inlet:

Probe

73

P

C
Mass Spectrum of

2-Naphthalenesulfonic acid-d 7 Inlet: Probe 73 °C

me Z/'SflSE rmss

1 0. 332 19. 0 2 0.712 30. 0 3 0. 1 02 34. 0 S 3. 0S2 42. 0 b 0. S32 4b. 0 7 2. 232 48. 0 3 5. 142 52. 0 3 0. 342 S3. 0 to 10. bl2 54. 0

1

1

0. 342 5b. 0 12 0.212 59. 0 13 0. S42 bO. 0 If 0. 3S2 b 1 . 0 IS 1 . bS2 b 4 . 0 17 11. 1S2 bb. 0 13 2. 222 b7 . 0 20 1 . 132 70. Q 21 2. 292 7b. 0 22 l 1 . 202 73. 0 23 0. 372 79. 0 24 10. 372 30. 0 25 2. 122 3 1.0

26 23. 352 32. 0 27 l . 2S2 83. 0 23 0.412 83. 0 30 1 . 372 90. 0 31 0. 1S2 91. 0 32 0.912 92. 0 33 0. 3b2 93. 0 34 3. 522 94. 0 37 l . b02 104.0

33 l . 2S2 1 OS. 0 33 1 1 . 432 l Ob. 0 40 1 . 1 02 107.0

41 0. 3b2 103.0

42 0. 192 110.0

44 0. 432 113.0

45 0. 342 119.0

4b 3. 032 120. 0 47 2 0. b22 121.0

48 4b. 752 122. 0 43 14. 702 123. 0 SO l . b22 124. a SI 1 . 422 130. 0 S2 2. 33 2 131.0

S3 20. b32 132. 0 S4 13. 9b2 133. 0 55 Sb. 922 134. 0 Sb 7. 932 135. 0 57 0. 732 13b. 0 S3 0. 132 137. 3 S3 0. 122 133. 0 bl 0.112 143. 0 b2 0. 902 149. 0 a 3 7. 0 52 ISO. 0 b 4 32. 422 l 5 1 . Q bS 5.41

2

152. 0 bb 0. 4 52 154. 0 b3 0. 222 1 b 4 . 0 70 0. 302 lbb. 0 71 0. 3 02 tb7. a 72 0. 192 lb3. 0 73 0. 312 132. a 74 0.112 193. 0 75 0. Ib2 197. 0 7b 0. 5 92 193. 0 73 1. 0b2 213. 0 73 14. 232 214.0

30 100. 002 215. 0 91 19. 132 21b. 0 92 b . b 22 217. 0 93 1 . 0 02 213. 0 94 0. 142 219. 0

49
00T

O

r\l—

L

o

cu o o

1T

f

1

ooooooooo <^CDfN.saui^nai^

iu> "O

50

Mass

Spectrum

of

Nitrobenzene-
Mass Spectrum of Nitrobenzene-d 5

flK i^ensE MOSS

3 o . s i y. 26. 0 4 0 . 6 92 27. 0 S 2. 987 23 0 7 14 . 477. 30. 0 3 0. 1 07 31.0

9 0. 1 07 32. 0

1 0 0. 1 07 33. 0 12 0. 3 07 35. 0 13 0. 257 36. 0

1 4 2. 067 33. 0 IS 0. 357 39. 0 16 3. 467 40. 0

1 7 0 . 997 4 1.0

13 S. 937 42. 0 19 0. 2 27 43. 0 20 0. 147 4 4.. 0 21 0. 177 46. 0 22 0. 3 07 48. 0 23 2. 2 07 SO. 0 29 0. 337 SI . 0 2S 16. 277 52. 0 26 2.447 S3. 0 2 7 SS. 197 54 0 28 2. 297 SS. 0 29 0. 137 S 6 . 0 31 0. 487 62. 0 32 0 . 3 07 64 . 0 34 1 . 457 66. 0 3S 0 . 117 67. 0 36 0 . 777 63. 0 37 0.317 69. 0 33 14.697 70. 0 39 0. 997 7 1.0

4 0 0. 107' 72. 0 4 1 0. S27 74. 0 43 2. 3S7 76. 0 44 0. 2 27 77. 0 45 1.427 73. 0 ,46 0.167 79. 3 47 1 . S37 30. 0 48 S. 027 3 1.0

49 100. 007 32. 0 SO 6. 4 57 33. 0 Si 0. 227 34. 0 S2 0. 197 46. 0 S3 0. 667 97.0

S 4 12. 177 9 3. 0 SS 0.917 99. 0 5 6 0. 107 10 0. 0 57 l . 127 112.0

S 9 2 . 6 0 7 127. 0 60 SI. 447 123. 0 6 l 3 . S 9 7 129.0

62 0 . 4 17 130. 0

51
U* P» At -m

I LI I I 1 J.l I I M 1 1 LI LILLI LI I I 1 I I I I 1 I LJ U-tl,i.Ll LI I LI LI I I U

L

01 L

: o

m

00000900300 o^coNoina-noi^

0)c

<T5

I •d

i CMCM

I >>

-C

+J

O)>!c

e- 2 a

-CQ_

CM

3

+>

O)Q.

00

10

«/) 03

52
Mass Spectrum of

2-Phenyl ethyl -1 ,-,2,2-d4 -amine

flK I/'BflSE HASS

1 0. 1 IX 19. 0 2 0. 132 27. 0 3 1 . SHX 29. 0 H 3. 7351 30. 0 S 1 . H8X 31.0

& 1 00. 0 0 V. 32. 0 7 29 . 0 9X 33. 0 3 2. 2 IX 3H . 0 9 0. 1 H X 37. 0

1 0 0. 3HX 33. 0

1 1 1 . 09X 39. 0 12 1 . 3 4 X HO. 0 13 0. 7HX H t . 0

1

4- 0. 34X H2 . 0 15 0. H5X H 3 . 0 14 0. 32X H5 . 0 17 0. 28X H4 . 0 13 0. 74

X

SO. 0 19 1 . SHX SI . 0 23 1 . 0 9 X 52. 0 21 0. 78X S3. 0 22 3. 32X SH. 0 23 0. 14X 40. 0 24 0. 17X 41. 0 25 3. 33X 42. 0 24 0. 73X 43. 0 27 0 . 9HX 4 H . 0 23 1.1 HX 45. 0 29 2. 79

X

44. 0 30 2. 77V. 47. 0 31 0 . 3 0 X 43. 0 32 0 , 2 2 X 7H. 0 33 0. 2 OX 75. 0 3H 0. 1 7X 74. 0 35 0. H OX 77. 0 34 0 . 44X 78. 0 37 0 . 8 8 X 79. 0 33 0. 4 3X 3 0.0

39 0. 3 IX 3 1.0

HI 0. 51X 90. 0 H2 0. 77V. 9 1.0

H 3 1 . SHX 92. 0 H 4 8 . 9 1 X 93. 0 HS H . 3 OX 9 H . 0 H 4 0 . 7 OX 95. 0 H7 0. 13X 94. 0 H S 0. ISX 1 OH . a «9 0. 39X . OS. 0 5 3 0. SIX 104.0

S 1 0. 7 3

X

107.0

52 0 . 11 X 103.0

s:i 0 . 1 OX 109.0

S5 0. 20X 119.0

54 0. 19X 120. 0 57 0. 3 OX 121.0

£6 0. 1 7 X 122. 0 29 0 . H OX 123. 0 40 0. 2SX 12H. 0 4 1 H . 34X 12S. a 42 1 . 44

X

124. 0 43 0. 2SX 127. 0

53
100

O O

lininifTpmniiijniii' iinj

jiifirirpii i iniiMmi iiT

i

i iiiimi' m.mrTTTrrTT Uiipnirm)" oooooooooo ^©N*>juJ3*rncu^

54

M^ss

Spectrum

of

Phenol

-d
Mass Spectrum of Phenol -d s

PEAK I/'BASE MASS

24 3.10 7 41.0

2S 7. 467 42. 0 26 4. 137. 43. 0 27 5. 037 44. 0 23 0. 137 45. 0 23 0. 177 46. 0 31 0. 427 48. 0 32 0. 44 7 43. 0 33 5. 447 50. 0 34 0. 167 51. 0 35 2.217 52. Q 36 0. 547 53. 0 37 2. 287 54. 0 38 0. 24-7 S5 . 0 38 0. 357 56. 0 to 0. 757 57. 0 4 1 3. 7 07 S3. 0 42 0. 147 59. 0 43 0. 147 60. 0 44 0. 387 62. 0 46 0 . 757 64. 0 47 0. 327 65. 0 48 l . 627 66. 0 48 0.307 67. 0 50 0. 877 63. 0 SI 4. 877 69. 0 52 6. 627 70. 0 53 11.417 71.0

54 0. 727 72. 0 55 0. 137 74. 0 56 0. 537 76. 0 SS 0 . 24 7 73. 0 S3, 0.307 30. 0 6 0 0. 237 31.0

61 0. 627 32. 0 62 0.217 96. 0 63 0 . 637 97. 3 6 4 7. 6 27 98. 0 65 91.1 07 99 . 0 66 6. 337 l 0 0 . 0 67 0 . 377 101.0

55
m at

i t

1 i—i—i—ii i i ' i ' ' t 1 i ' i i UL' L'' ' i.i i i ; 1 i i

(VI

U)

t

F 5

rcr 00000^03000 o c* a> n. sD -1 3* n cu ^

56

Mass

Spectrum

of

o-Xylene-d
Mass Spectrum of o-Xy1ene-d 10

flK Z/SfiSZ rtflSS

i 3. 152 30. 0 3 a. iS2 39. 0 9 0. 177. 33. 0 5 3. 232 92. 0 7 1 . 232 96. 0 a 0. 952 99. 0 9 0. 212 SO. 0 10 2. S32 52. 0

i 1 a. 222 S3, a 12 7. 222 39 . 0 13 0. 3 02 55. a if 2. 392 56. 0 IS 1. S32 S3. 0 17 0. 332 62. 0 13 1.112 69. 0 19 0 . 1S2 65. 0 20 3. 232 66. 0 21 0 . 9 9 2 63. 0 22 0. 152 69. 0 23 7 . S3

2

70. 0 29 0. 1 52 71.0

as 0. 322 72. 0 27 0. 59

2

76. 0 23 0 . 36 2 73. 0 29 0.902 30. 0 30 a. 132 3 1.0

31 3. 992 32. 0 32 0. 972 33. 0 33 3. 3 02 39. 0 39 0.3 02 3 5. 0 35 5.212 36. 0 76 0. 3 62 37. 0 37 0. 132 33. 0 33 0. 122 90. 0 39 1 . 392 99 . 0 9 0 0 . 372 96. 3 9 1 6 . 19 2 97. 0 9 2 100. 002 93. 0 93 7 . 372 99 . 0 9 9 0.292 10 0. 0 93 0 . 9 9 2 103.0

9 6 0. 152 109.0

97 3. 272 110.0

93 0.212 1 l 1 . 0 99 0 . 7S2 112.0

SO 0 . 9S2 113.0

3 1 1 1 . S22 119. 0 S2 S. 122 1 1 S. 0 S3 96. 302 116.0

39 3. 9*2 117.0

55 0. 152 113.0
NBS-1I4A (REV. 3-78)

U.jn OEPT. OF COMM.

BIBLIOGRAPHIC DATA

SHEET

1. PUBLICATION OR REPORT NO.

4. TITLE AND SUBTITLE S. Publication Oate The Mass Spectra and Isotopic Purity of Compounds

Proposed for Use in the "Master Analytical Scheme

for the Analysis of Organic Compounds in Water" —

—-"*1 ————— II —

^P5fformm*0rg3iW2attoa Codec. H

, . - ••• v.

7. AUTHOR! S) E. White V, J. M. Welch, and H. S. Hertz

3. Performing Organ. Report No.

9. PERFORMING ORGANIZATION NAME ANO AOORESS

NATIONAL BUREAU OF STANOARDS

DEPARTMENT OF COMMERCE

WASHINGTON, DC 20234

SflE* Ptefeet/Tasfc/*^ Unit No.

•i.'f': .*. >>>> 15

11. Contract/ Grant No.

12. SPONSORING ORGANIZATION NAME AND COMPLETE AOORESS (Street, city. State. ZIP

)

U. S. Environmental Protection Agency

Environmental Research Laboratory

Athens, GA 30605

13, Type of Report 4 Period Covered

U* Sponsoring Agency Code

V£T-'

''

' ' V

" L.i-'d

15. SUPPLEMENTARY NOTES

Document describes a computer program; SF-185, FIPS Software Summary, is attached.

16. ABSTRACT (A 200-word or leaa (actual summary ol moat significant information. If document includes a significant bibliography or

literature survey, mention it here.)

Mass spectra for 24 deuterated organic compounds are given in tabular

and graphical form. The mole percent deuterium at labelled positions

as determined by mass spectrometry for 23 compounds ts given.

17. KEY WORDS (six to rwelve entries; alphabetical order; capitalize only :he first letter of the first key vord unless a proper name

;

separated ’cry semicolons)

Deuterated compounds; isotopic purity; mass spectra; "Master Analytical

Scheme"; organic compounds in water

13. AVAILABILITY Ar^Jnlimited

J. For Official Distribution. Do Not Release to NT1S

_ Order F'cm Sup. of Doc., U.S. Government Printing Office, Washington, DC

20402, SD Stock No, SN003-003-

3<?j5rcer F-om National Technical Information Service ; NT1S), Springfield,

^^/A. 22151

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(THIS REPORT)

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