Mass Spectra of Some Organic Compounds Complete Revision and Corrections H . 11. ROBERTS
S. E. J . JOHSSEN, .Wonsunto Chemical Company, Texus City, Ten.
T
HE original paper on Mass Spectra of Some Organic Conipounds [ASAL. CHEX., 20, 690 (1948)] was found, after publication, to contain so many serious errors in the tabulated pectra that the customary errata sheet nould serve no useful purpose. I n the interests of maximum utility, it was decitlcd to reprint all the revised tables, even though sonic originally contained 110 errors.
Since the preparation of the original paper, a large number of very detailed mass spectrogranis have been collected and issut:tl by the ilnicrican Petroleuni Institut,eResearch Project 44 (estaiilished a t the National Bureau of Standards, Washingtoil, D. ('.!. The numbers that have IJcJen assigned t o the individual table. published here coincide with those that were used in the cli.iyinal publication.
Mass Spectra of Organic Compounds .\IU*>
No. 1.
16" 15
P e ~ kKsitio Methane
100.0 80.1 8.28 2.90 0.47
14
13 12
No. 2. E t h a n e Souice. Phillips. Purity, 9 9 , 0 + R I E , 1.8 30" 100.0 29 28 27 96
84.5 438. 116. 87.0 11.8 0.77
25 24
15 14
:
14
13
8.47 1.12 5.99 0.37
No. 3. Propane Philliyp. Purity, R I E . 1.5
Source, 440 43 42 41 40
39 38 37 36 30 29 28 27 26 25 20.5 20 19.5 19
15
99,9,
100.0 115. 22.2 57.4 8.05 64.2 19.2 10.6 1.91 7.51 3Yi. 232. 104. 22.7 0.60 0.33 1.86 0.79 1.68
15 14
0.70
No. 4.
n-Butane Source, Phillips. Purity, R I E . 1 00
99 78.
58Q 57 56 55 54 53 52 51 50
100.0 18.2 2.56 3.62 0.41 2.23 0.66 3.72 5.53
49 44 43 42 41 40
1.10 26.7 782. 99.0 220. 6.25 75.9 9.75 2.31 3.08 2.88
lIass Peak Ratio No. 6. ( C o n t d . ) Source, Phillips. l'iirity, technical
Isobutane
Source, Phillips. P u r i t s . 99 88. R I E , 0.24 5ga 100.0 57 129. 56 5.86 55 7.59 54 1.14 53 7.97 52 1.57 51 14.2 50 22.8 49 44 43 42 41 40
3.99 139. 4100. 1270. 1430. 78.1
396 38 37 36 30
494. 81.7 34.2 6.66 1.34
29 28 27 26 25 5 25
194. 63.7 677. 45.2 1.97 1.12
15 14
100.0 4.90
72 71 70
3.13 42.5 9. i o 19 1 1.40 1.38
58 57 56 55 54 53 52 51 50
30.4 713. 392. 56.4 4.96 11.5 2.20 6.77 4 96
282, 44.6 1.37. 12.2 7.28
85
n-Heptane Purity, 99. 0. 100.0 8.45
72 71 70
12.0 335. 130.
69
1.86
58 57 56 55 54 53 51
7.30 324. 179. 62.2 0.74 3.42 1.70
44 43 42 41 40
20.6 ,566. 133. 281. 6.02
39 38 36 30
70.3 1.99 2.49 1.99
29 28 27 26
192. 24.7 116. 3 77
No. 8. 2,Z-Dimethylpentane Original data obtained from too ininure sample
No. 9.
71-Octane
Source, Eastman. Purity, Eastman grade 1145
100.0
86 85
35.7 544. 113.
84 83
a Reference peak. b hfetastable a t -39.2
Xetastable
29 28 27 26
7.45 5.00 1.52 7.25
100"
9.12
69 68 67
94.5
No. 7.
Purity, technical
86 a 85 84
39 38 37 36 30
Source, Phillips.
n-Hexane
Source, Phillips.
16.3 474, 23i. 429. 16.6
15
44.6 2.86
No. 6.
44
43 42 41 40
3.89 0 43
No. 5.
5.41
14
39 38 37 36 30
Mass Peak l i a t i o No. 4. ( C o n t d . ) Souice, Pliillips. Piiiity. 99.78. R I E . 1.00 29 253. 28 221. 27 208 26 25 .j 25 5 0 84 25 0 66
72 71 70
(?I,
1225
5.03 21.0 398, 200
Maas
Peak Rail 0.63 1.92 0.Y2
49 44
0.44 4.02 100 0
43a 42 41.5 41 40.5 40
,
n4
0.i 2 110 1.2; 6 l$J
1226
ANALYTICAL CHEMISTRY
3Iass Spectra of Organic Compounds (Continued) Mass
Peak Ratio
Mass
Phillips. Purity, 99.0. R I E , 0.00 39.5 0.44 39 26.5 38 1.65 37 1.41 33a 0.49 30 1.63
Source,
49.4 6.34 27.5 0.96
29 28 27 26
No. 11.
Peak Ratio
No. 13. (Contd.)
No. 10. (Contd.)
n-Decane
1.59 4.17 1.88 0.59 0.21 0.15
Source, Eastman. Puritv. Eastman grade 11.1
143 142b
100.0
No. 14.
114 113 112
3.90 54.8 25.7
101 100 99 98 97 90
5.09 10.4 88.1 63.3 6.49 1.73
86 85 84 83 82
22.2 358. 120. 18.5 3.23
72 71 70 69 68 67 65
27.1 518. 188. 61.8 7.00 7.54 1.39
58 57 56 54 53 52 51 50
55.8 1380. 247. 181. 15.1 20.7 1.73 4.62 1.73
44 43 42 41 40
46.0 1360. 171. 455. 19.8
55
39 38 33a 324 30
104. 12.9 4.31 1.77 5.20
29 28 27 26
302. 68.9 191. 15.5
No. 12. Source,
99.8.
28b 27 26 25 24
100.0 57.2 49.9 7.79 1.97
15 14 13.5 13 12
0.06 1.28 0.09 0.27 0.14
No. 13.
49 48 44 43 42 41 40
3.50 0.26 0.11 0.21 6.75 199. 11.8
39 38 37 36 30
58.9 7.17 4.00 0.73 0.45 29.9 46.9 0.17 38.6 0.18 16.2 2.65 1.48
No. 15.
1.28 0.15 0.06 0.04
1-Pentene
Source, Phillips. 70 b
Ethene
Phillips. Purity, R I E , 7.5
%Butene
Source, Phillips. Purity, 96.2. R I E , 3.4 56b 100.0 55 41.1 54 7.40 53 15.9 52 2.91 51 10.8 50 12.7
15 14 13 12
Propene
Source, Phillips. Purity, 99.2. R I E , 3.1 42 b 100.0 41 164.0 40 42.0 39 93.0 38 25.1 37 16.9 36 4.3
Peak Ratio
Mass
No. 16. 2-Pentene
Source, Phillips. Purity, 99.2. R I E , 3.1 29 0 43 28 2.27 27 46 3 26 9.86 25 0.67 24 0.12 0 36 20.5 20 2.60 19.5 19 15 14 13 12
Mass
Purity, 9 6 . 0 100.0
69 68 67 65 63 62 61
5.36 1.37 4.60 1.45 1.30 1.15 0.78
57 56 55 54 53 52 51 50
5.05 8.49 173. 3.49 13.4 1.45 4.80 4.00
44 43 42 41 40
0.46 15.3 227. 108. 16.5
39 38 37 36 31
71.6 8.24 3.59 0.70 2.40
30 29 28 27 26
0.62 56.4 9.37 51.4 7.04
Source, Phillips.
Purity, 9 5 . 0 t 100.0 7.10 1.16 5.94 0.77 1.89 2.09 1.94 1.42
57 56 55 54 53 52 51 50
0.57 11.4 257. 6.46 19.8 2.41 6.42 5.25
49 43 42 41 40
0.96 7.10 102, 70.0 11.0
39 38 37 36
63.8 7.32 3.42 0.73
33 32 5 32 31 5 31 30
0.45 0.53 1.21 0.73 3.63 1.16
29 28 27 26 25
No. 17. 1-Octene Source, Connecticut Hard Rubber. Purity, 95.0+ 112b 97
100.0 20.5
85 84 83 82 81
10.5 130. 205. 32.7 4.01
79 77 72 71 70
3.29 4.26 3.29 77.5 553.
69 68 67 66 65 64
283. 33.3 34.4 3.53 6.62 3.74
58 57 56
50
3.04 119. 572. 615. 55.5 48.7 6.62 15.2 7.12
44 43 42 41 40
26.4 674. 467. 579. 34.9
39 38 37 36 30
216. 13.2 4.94 7.23 5.51
29 28 27 26
272. 54.9 211. 14.9
55
54 53 52
51
Peak Ratio
No. 18.
2-Octene
Source, Eastman. Purity, Eastnian grade 112b 100.0 97 93 92
5.38 1.22 3.15
85 84 83 82 81
2.10 28.5 72.4 9.13 3.15
79 77 72 71 70
2.09 2.61 1.56 17.4 172.
69 68 67 66 65 63
110. 15.3 18.0 1.98 4.00 1.67
58 57 56 55 54 53 52 50
4.68 69.0 203. 332. 27.8 26.1 3.69 8.75 4.78
44 43 42 41 40
3.29 68.6 142. 275. 13.9
39 38 37 36 30
85.0 4.77 2.85 1.33 3.38
29 28 27 26
140. 26.6 97.9 6.90
51
No. 19.
1,3-Butadiene
Phillips. Purity, 99.8. KIE, 3.9 54 b 100.0 53 70.0 52 11.6 51 24.3 50 26.2
Source,
49 48 41 40
8.26 1.05 0.08 3.16
39 38 37 36
101. 6.36 4.66 0.94
29 28 27 26.5 26 25.5 25 24 19 15 14 13
No. 20.
0.43 32.9 49.1 0.19 17.1 3.77 2.54 0.10
0.17 0.07 0.15 0.07
2-Methyl-1,J-butadiene
Source, Phillips. Purity, 99.0. R I E , 2.3 68b 100.0 67 132. 66 11.2 65 12.2 64 1,00 63 5.01 62 4.07 61 2.95 60 0.61
1227
V O L U M E 20, NO. 1 2 , D E C E M B E R 1 9 4 8
Mass Spectra of Organic Compounds (Continued) Mass
Peak R'atio
No. 20. (Contd.) Source. 55 54 53 52 51 50
No. 23.
Phillips. Purity, 99.0. R I E , 2.3 1. 17 4.01 88.9 5.66 12.1 9.29
49 48 43 42 41 40
2.15 0.19 0.55 19.6 33.9 35.9
39 38 37 36 33 32.5 32 31.5 31
79 78 77 75 74 73
100 0 28.1 2.74 18.5 4.87 13.5 1,05 1.97 0.68
Source, Eastman. Purity, Eastman grade 136a 100 0 122 121
8.30 87.3 6.87 8.78 8. 63 0 96 4.28 1.16 19.5 76.5 5 . 82 18.1 1.56 8.06 1.92 32.8 94.7 269. 81.4 57.8 1. i o 2.37 9.18 50.4 49.7 105. 16. 9 598 1.43
Purity, 90. O f
54 53 22 J1 50
3.32 78.8 4.97 8.53 6.25
49 44 43 42 41 40
1.38 0 18 1.68 23.8 46.0 38 5
39 38 37 36 30
63.2 1;: 0.58 0.11
29 28 27 26 25
5.09 7.02 25.2 4.61 0.39
z5
44.6 515. 234 32.3 26.3 3.3i 9. 13 2.86
100.0 13.0 2.05 11.3 4 58 7.04
50
4.97 30.4 6.5; 88 2 12.6 34 4 7.70
43 42 41 40
13.4 1 4 .3 91.4 30.1
94 93 92 91
16.7 229, 13.9 111.
39 38 37 36
83.6 5.17 1.15 0.77
81 80
33.6 340.
29 28 27 26
21.4 5.90 37.2 1.16
1084 107 106 105 104 103
687. 1.57. 173. 3.86 7.33 6.63
1,4-Cyclopentadiene
S o u ~ c r z , Iioppers.
Puiity,
99.5.
R I E , 4.1 100.0 47.9 4.75 8.78 6.33 4.70 1.11
51 50
2.59 1.81
49 48 41 40
0.79 0.13 1.07 28.3
39 38 37 36 33 32.5 32 31.5 31
31.8 8.82 4.70 0.68 1.82 0.72 1.80 1.20 5.02 0.31 2.48 1.18
0.23
68 67 66 65 64 63 62 61 55 54 53 52.5 52 51 50
15.0 276. 386. 76.1 3.86 20.5 6.46 1.57
No. 26.
3.59 7.78 180. 31.5
39 38 37 36
333. 21.0 6.02 6.26
29 28 27 26
27.0 53.8
154.
16.0
Piiiiti-. 9 0 . 0 $ 100.0 4.29 1.65 5.65 0.92 2.22 0.25 i.7n 1.4Y 1.14 0.21
57.8 1070. 119. 2.53 48.7 89.9 39.9
49 42 41 40
Cyclopentane
Source, Phillips. 70a
0.61 13.6 9.04 108. 3.22 5.72 0.78 2.67 2.16 49 44 43 b 42 41 40
lIass
0.40 0.85 25.5 318.0 86.0 18.3
Peak Ratio
No. 26. ( C o n t d . )
Limonene
1,3-Pentadiene 100.0 132. 11.7 17.8 1.23 7.14 5.55 4.13 0.82
28 27 26 25
82a 81 80
Peak Ratio
No. 25.
2 19 3 23 24 0 3.16
68'J 67 66 65 64 63 62 61 60
66n 65 64 63 62 61 60
Source, Eastman. Purity, Eastman grade
Mass
0.42 0.61 0 48 3.06
Source, Koppers.
No. 22.
Peak Ratio Cyclohexene
0 42
29 28 27 26
No. 21.
Mass
Source,
Plnllips.
Purity,
90.0+
39 38 37 36 30
51.7 6.55 2.84 0.36 0.21
29 28 27 26 25 3 25
16.0 6.68 28.8 4.72 0.50 0.43
No. 27.
Methylcyclopentane
Source, Phillips. Purity, Technical. RIE, 1 . 4 84 a 83 82 81
100.0 5.46 1.10 1.74
79 78C 77 76 75 74 71 70
4.25 22.7 6.50 1.10 0.66 1. 74 1.26 11.8
69 68 67 66 65 63 62 61
229. 25.9 17.0 1.94 4.61 2.98 1.42 0.66
58 57 56 55 54 53 52 51 50
1.42 47.1 646. 153. 21.: 20. J 8.07 14.2 10.7
49 44 43 42 41 40
1 28 2 34 i3.9 1.58, 335 26.2
39.5 39 38 37.5 37 36 30
1.10 107. 11.8 4.26 5.35 0.86 2.01 51.9 38.3 79, 8 8.92
29 28 27 26
No. 28.
Cyclohexane
Souice, Eastman Purity, Eastinan grade. R I C , 5.G 100 0 6.06 0.24 0.39
84a 83 82 81 79 78 77
70
0.63 0.39 0.93 1.92
69 68 67 66 65
34.6 2 50 3.75 0.33 0.79
57 56 55 54 p3 02 51 50
6.45 133. 44.7 7.31 4.50 1.26 2.89 1.93
-
a Reference peak.
Metastable 43 2. Benzene impurity (?).
1228
ANALYTICAL CHEMISTRY
Mass Spectra of Organic Compounds (Continued) Mass
No. 28.
Peak Ratio
Source, Eastman. Purity, Eastman grade. R I E , 5.6 44 43 42 41 40
0.84 16.1 34.2 68.1 5.34
39 38 37 36 30
21.5 2.23 0.87 0.77 0.43
29 28 27 26
9.46 10.5 17.1 1.93
No. 29. Methylcyclohexane Source,
Dow. Purity, 95.O-t. RIE, 2 5
98' 97
100.0 6.59
85 84 83 82 81
0.42 16.1 229. 33.9 3.18
79 78 77 71 70
1.62 0.52 1.78 2.69 50.1
69 68 67 66 65 63 62
51.5 20.4 10.2 0.87 1.97 0.87 0.41
57 56 55 54 53 52 51 50
10.4 66.1 177. 10.1 10.1 1.77 4.23 2.27
44 43 42 41 40
1.38 16.2 64.5 96.3 6.67
39 38 37 36.5 36 30
37.4 2.73 1.38 1.77 1.38 0.26
29 28 27 26
25.2 9.81 30.4 2.17
No. 30. Ethylcyclohexane Source, Eastman. Purity, Eastman grade 1120 100.0 111 2.25 85 84 83 82 81 80
0.57 39.1 523. 214. 9.64 0.63
79 78 77 71 70
4.30 1.41 4.40 1.08 15.9
68 68 67 66 65 63 61-59s
Mass
43.6 11.3 56.9 1.81 4.11 1.38 0.94
Peak Ratio
Mass
Peak Ratio
Mass
Peak Ratio
No. 30. (Contd.)
No. 32. (Contd.)
No. 34. (Contd.)
Source, Eastman. Purity, Eastman grade
Source, ZIonsanto. Purity, Nitration grade. R I E , 6.9
Source, Monsanto. Purity, 99.8. R I E , 11.3
(Contd.)
57 56 55 54 53 52 51 50
6.65 56.5 377. 24.0 18.3 3.28 7.08 2.71
44 43 42 41 40
1.29 35. 6 43.0 182. 9.11
39 38 37-36 b 30
57.5 2.99 5.05 0.71
29 28 27 26
42.6 14.3 51.1 3.01
53 52 51.5 51 50
49 46.5 46 45.5 45 44.5 44 43.5 43 41 40 39 38 37 36
17.3 3.58 0.83 0.61
28 27 26
0.34 1,58 0.28
Benzene
Source, Baker. Purity, C.P. R I E , 13.6 78a 77 76 75 74 73
100.0 18.4 5.13 0.82 3.79 0.63
63 62 61
1.55 0.17 0.16
53 52 51 50
0.27 17.5 14.7 12.0
49 40
0.84 0.08
39.5 39 38.5 38 37.5 37 36
0.08 11.3 0.13 3.81 0.42 2.30 0.50
28 27 26
0.17 0.56 0.46
No. 32. Toluene Source, Monsanto. Purity, Nitration grade. R I E , 6 , 9 92a 91 90
Source, Farchan. 1020 101 100
Purity, 95. O f 100.0 2.48 0.41
99 98 97
0.66 1.84 0.41
87 86 85
1.04 0.39 0.13
79 78 77 76 75 74 73
0.25 2.62 2.97 22.4 6.48 8.46 1.31
64 63 62 61 60
0.28 5.43 2.58 1.59 0.31
57-55b 54 53 52 51.5 51 50.5 50
0.89 0.18 0.30 6.18 0.51 12.4 0.23 10.9
49.5 49
0.75 1.96
39 38 37 36
3.10 1.62 1.30 0.81
5.03 0.23 0.38 0.28
79 78 C 77 76 75 74 73
0.33 15.5 3.10 0.43 0.31 0.70 0.13
66 65 64 63 62 61
0.80 16.9 1.03 9.58 3.31 0.93
53 52 51 50
0.43 4.04 11.4 6.70
a Reference peak.
Metastable (?). Benzene impurity (?),
0.44
39 38 37 36
5.40 0.73 0.26 0.35
28 27 26
0.26 1.06 0.12
No. 35.
Ethylbenzene
106a 105 104 103 102 101
100.0 17.8 1.55 7.67 0.98 0.54
92 91 90
24.6 288. 1.00
89
2.71
79 78 77 76 75 74
9.80 18.3 20.9 0.80 1.00 1.43
66 65 64 63 62 61
0.64 21.1 0.69 7.96 1.26 0.16
53 52.5 52 51.5 51 50
1.00 0.26 9.30 0.54 29.9 9.19
49 41 40
0.33 1.09 0.11
39 38 37 36
15.3 1.52 0.11 0.95
28 27 26
0.90 5.23 0.32
1.54 0.66 0.45
100.0 153.0 6.96
89 87 86 85
49
Source, Monsanto. Purity. 99.Of. RIE, 5.4
No. 33. Ethynylbenzene No. 31.
0.35 8.10 0.47 26.4 9.10
No. 36.
o-Xylene
Source, Eastman. Purity, Eastman grade. R I E , 6.7
No 34.
Styrene
Source, Monsanto. Purity, 99.8. R I E , 11.3 104n 100.0 49.6 103 7.31 102 101 0.66 89
0.61
79 78 77 76 75 74 73
0.90 33.9 19.6 2.41 1.65 2.70 0.32
66 65 64 63 62
0.50 0.26 4.47 0.83 .41
106a 105 104 103 102 101
100.0 42.4 5.50 10.4 2.30 0.79
99 98 97 96 95 93 92 91 90
0.26 0.60 0.76 0.26 0.19 0.52 13.4 170. 1.53
~~
3.15 0.28 0.58 0.58 0.57 0.30 0.42 0.50 0.57 1.05
1229
V O L U M E 20, NO. 12, D E C E M B E R 1948
Mass Spectra of Organic Compounds (Continued) Mass
Mass
Peak Ratio
No. 36. (Contd ) Source, Eastman. Purity, E a s t m a n grade. R I E , 6.7 79 11.9 78 11.6 77 20.1 76 1.58 75 1.82 74 4.00 73 0.44 71 0.21 70 0.25 69 68 67 66 65 64 63 62 61 60
Source, Monsanto. Purity, 95.0+. R I E . 6.8 59 58 5 58 57 5 57 56
55
53 52 51.5 51 50
0.44 0.10 0.54 1.40 10 8 1.61 7.84 2.92 1.23 0.82
n
RR
40
i.oS
55 54 53 52 5 52 51 5 D1 50 5 50
0.35 4.51' 1.05 10.2 1.53 20.7 0.30 7.06
49.5 49 45 44 43 42 41 40
0.24 0.88 0.41 0.24 1.21 0.30 2.87 1.59
39 38 37 36
14.8 2.71 0.98 0.43
29 28 27 26
0.63 0.82 7.00 0.80
1.47 1.35 11.8 7.33 2.82 0.28 0.30 1.41 3.94 0.49 16.3 7.11
Mass
Source, Eastman. Purity, Technical grade 89 1.40 87 0.36 86 0.41 85 0.20 83 0.36 82 0.21 81 0.50 80 0.76
120" 119 118 117 116 115
100.0 11.5 2.07 7.41 1.99 7.10
107 106 105 104 103 102 101
1.29 30.8 330. 8.17 17.8 3.66 1.51
93 92 91 90
2.27 10.1 32.6 1.51
0.50 0.12 0.15 0.35 0.10 1,72 1.50
39 38 37 36
11.3 1.81 0.74 0.11
89 88 87 86 85 80
4.24 0.30 0.80 0.80 0.33 1.60
29 28 27 26
0.10 0.33 2.78 0.41
79 78
23.0 9.89 XI. .. 7 1.99 2.25 2.03
77 ..
64 63 62 61 59.5 59 58.5 58 57.5 57 55 54 53 52.5 52 51.5 51 50
1.73 9.48 2.07 8.03 6.01 2.71 0.48 0.26 5,05 0.60 4.65 0.65 15.0 5.74
~~
Purity, 9 5 . 0 + . RIE, 6.8 100.0 71.0 9.10 21.1 1.43 1.08
120a 119 118 117 116 115
100.0 1.52 0.55 1.00 0.30 1.59
106 105 104 103 102 101
33.5 361. 13.4 28.2 2.95 1.08
91 89 80
17.6 1.18 1.03
79 78 77 76 75 74
39.1 17.9 45.4 1.49 1.49 1.62
65 64 63 62 61
4.73 0.45 5.94 1.06 0.40
105 104 103 102 101 100
1.58 4.00 45.6 4.43 0.59 0.16
99 98 92 91 90
0.18 0.33 1.60 17.9 1.47
89 88 87 86 85
3.56 0.41 0.89 0.68 0.36
79 78 77 76 75 74 73
2.40 28.9 19.9 2.93 2.60 3.07 0.48
41 40
8.78 0.50
39 38 37 36
16.4 1.11 0.29 0.80
68 67 66 65 64 63 62 61
0.07 0.15 0.47 5.01 0.97 6.53 2.67 0.91
28 27 26
1.19 10.1 0.24
59 58 57 53 52.5 52 51.5 51 50
a
Reference peak.
2.50 1.56 1.18 1.78 2.45 8.07 1.11 36.7 9.13
49 44 43 42 41 40
0.33 0.26 0.23 0.15 5.84 2.45
39 38 37 36
17.8 2.45 0.65 0.58
28 27 26
1.28 74.6 9.26
No. 40.
79 78 77 76 75 74 70
8.24 4.89 14.2 0.91 1.20 1.23 0.39
69 67 66 65 64 63 62 61 60
0.45 0.66 0.71 4.88 0.93 3.86 1.42 0.52 0.82
59.5 59 58.5 58 57.5 57
52 51.5 51 50
0.78 4.12 1.03 3.74 2.55 2.03 0.88 0. 23 3.63 0.30 2.65 0.25 I , 63 2.83
43 42 41 40
1.17 0.25 5.29 1.14
39 38 37
10.1 1.19 0 31
29 28 27 26
0.78 0.63 5.72 0.34
55
0.25 1.29 13.5 1.94 9.48 3.12 1.22
65
Source, Fenske. Purity, 98.0. RIE, 4 . 6
Peak Ratio
Source, Monsanto. Purity, 98.0+. R I E , 4.8
49 43 44 43 42 41 40
No. 38. Isopropylbenzene
Mass
No. 40. (Contd.)
67 66
Source, hlonsanto.
Peak R a t i o
No. 39. Methylethylbenzene
76 75 74
No. 37. Isopropenylbenzene
118a 117 116 115 114 113
Peak R a t i o
No. 37. ( C o n f d . )
1,3,5-Trimethylbenzene
Source, Eastman. Purity, Technical grade 12oa 100.0 119 26.5 118 1.72 117 4.47 116 1.53 115 5.09 107 106 105 104 103 102 101
0.91 13.9 156. 5.36 9.36 2.31 0.97
97 96 95 94 93 92 91 90
0.52 0.59 0.61 1.15 1.98 3.60 12.1 0.64
54 53 52.3
No. 41. 1-Ethyl-4-ethenylbenzene Source, University of Illinois. Purity, 9 0 . 0 f 13Za 131 130
100.0 9.38 1.97
129 128 127 126 120
3.60 6.10 3.06 0.70 0.94
119 118 117 116 115
2.65 24.1 238. 13.8 38.1
106 105 104 103 102 101
1.37 11.9 5.00 6.81 5.39 1.64
92 91 90
2.18 28.1 1.08
89 88 87 86
4.56 0.38 0.87 0.57
79 78 77 76 75 74
3.09 5.16 15.2 2.52 3.09 2.75
1230
ANALYTICAL CHEMISTRY
Mass Spectra of Organic Compounds (Continued) RIass
Peak Ratio
Mass
No. 41. (Contd.)
No. 43.
Source, University of Illinois. Purity, 90.0f 66 4.04 65.5 0.81 65 12.1 64.5 1.79 64 7.52 63.5 1.79 63 10.2 62 2.78 61 0.74 58 5 58 57 5 54 53 52 51.5 51 50
0.34 2.02 0.92
39 38 37 36
12.9 1.66 0.34 0.64
29 28 37 26
No. 42.
Source, Eastman. Purity, Eastman grade 134O 100.0 4.33 120 4.63 119 2.89 117 1.27 116 4.41 115
2.61 1.83 6.51 0.28 3.49 3.37 0.34 15.7 5.77
49 41 40
0.73 2.20 5.74 0.66
Diethylbenzene
Source, NACA. Purity, 9 9 , O f . RIE, 4 . 2 134' 100.0 133 1.96 131 0.58 129 128 127 120
20.4
119 118 117 116 115
202. 6.43 32.0 6.93 19.9
106 105 104 103 102 101
19.0 201, 13.7 19 9 4.20 1.64
93 92 91 90 89 80
6 . 16 4.74 54.8 1.64 5.14 0.92
79 78 77 76 75 74
17.2 10.6 30. 1 2.10 2.57 2.48
66 65 64 63 62
1.26 13.8 4.07 9.39 2.69
59 5 58 5 58 57.5 57 55 53 52 51 50
0.73 1:01 4.07 6.13 8.40 2.28 0.56 5.01 4.40 16.4 5.72
41 40 39 38 37 36 29 28 27 26
12.5 1.51 16.3 1.79 0.26 0.39 3.68 2.87 7.12 0.64
59
Peak Ratio n-Butylbenzene
0.50 1.56
0 i1
106 105 104 103 102 101
4.14 38.8 5.27 7.73 2.12 0.87
98 97 96 95 94 93 92 91 90
0.44
1.70 1.27 1.01 0.51 15.4 207. 378. 4.48
89 87 86 85 84 83 82 81 80
6.14 0.67 0.51 0.51 4.80 58.1 34.4 3.65 1.34
Mass
No. 44.
Peak Ratio
119 118 117 116 115
396. 9.19 34.1 6.84 18.4
106 105 104 101 102 101 97 96 95 44 43 92 91 90
0.21 0.31 1.51 9.31 a . 61 4.48 39.2 1.16
89 83 82 81 80
3.28 0.53 0.31 0.84 0.21
11.4 21.6 20. 6 2.00 2.08 2.00 0.48 0.71 3.01
69 68 67 66 65 64 63 62
5.14 2.33 9.13 2.84 35.9 3.27
:2 54 53 52 51 50
7.96 39.7 3 86 5.02 5.02 18.9 7.05
44 43 42 41 40
0.54 12.0 3.78 28. 7 2.39
59.5 59 58.5 58 57.5 57 56 55 34 53 02 51 50
39 38 37 36
26.2 2.20 0.73 0.31
43 42 41 40
1.87 0.66 14.4 1.33
29 28 27 26
9.35 2.80 15,2 0.87
39 38 37 36
13.4 1.24 0.17 0.24
24 28 27 26
0.76 1.33 6.46 0.37
2.55
Purity, C.P.
47 46" 45 14 43 42 41
2.75 100.0 231. 11.6 38.6 13.4 3.92
32 31 30
5.04 411. 22.2
29 28 27 26 25
69.3 29.3 74.6 21.3 3.97
16 15 14
1.21 20.1 9.34
No. 47.
Dimethylketone
Source, Carbide. 5Sa
;; 53 44
43 42 41 40
Purity, C.P. 100.0 2.81 0.86 1.08 6.35 275. 17.6 5,37 2.15
5.05 4.23 13.3 0.84 1.16 0.96
69 68 67 66 65 64 63 62 61
0.52 0.72 0.99 2.26 12.3 2.66 5.80 1.62 0.16
31 30
8.73 4.76 4.43 1.75 1.51 0.28
29 28 27 26 25 24
8.31 7.72 13.8 9.17 2.22 0.35
1.16 0.72 4.14 4.90 5.26 1.81 0.36 2.07 0.16 3.12 2.26 8 18 3.12
19 18 16 15 14 13 12
0.64 0.64 0.72 66.2 9 75 2 35 0 61
3R ~~
No. 45.
Referenoe peak. Metaatable a t 28.8.
Ethanol
79 78 77 76 7
