MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003035
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003035
RECORD_TITLE: BIS(2-METHYLPROPYL)DISULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: BIS(2-METHYLPROPYL)DISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18S2
CH$EXACT_MASS: 178.08499
CH$SMILES: CC(C)CSSCC(C)C
CH$IUPAC: InChI=1S/C8H18S2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY
ONJROLGQWMBXAP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00164873
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9100000000-b8ebb5e046da1640fe5e
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
15 0.7 7
26 0.4 4
27 8.1 81
28 0.3 3
29 29.1 291
30 0.7 7
32 0.5 5
33 0.01 0
34 0.4 4
35 0.2 2
37 0.2 2
38 0.05 1
39 7.6 76
40 1.1 11
41 37.2 372
42 0.23 2
43 6.7 67
44 0.6 6
45 3.8 38
46 0.01 0
47 2.8 28
48 0.6 6
49 0.3 3
50 0.03 0
51 0.4 4
52 0.1 1
53 1.3 13
54 0.09 1
55 6.1 61
56 4.7 47
57 99.99 999
58 0.44 4
59 1.1 11
60 0.6 6
61 1 10
62 0.01 0
63 0.1 1
64 0.5 5
65 0.2 2
66 0.05 1
67 0.1 1
68 0.1 1
69 0.3 3
70 0.02 0
71 0.4 4
72 0.2 2
73 0.2 2
74 0.12 1
75 0.2 2
76 0.2 2
77 0.1 1
78 0.03 0
79 1.6 16
80 0.2 2
81 0.2 2
85 0.02 0
86 0.1 1
87 3.7 37
88 2.2 22
89 0.12 1
90 0.7 7
91 0.4 4
103 1 10
104 0.06 1
105 0.1 1
106 0.1 1
122 7.4 74
123 0.05 1
124 0.2 2
131 0.1 1
132 0.2 2
145 0.02 0
146 0.5 5
147 0.1 1
178 16.3 163
179 0.18 2
180 1.7 17
181 0.2 2
//