MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009130
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009130
RECORD_TITLE: METHYL OCTYL SULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL OCTYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H20S
CH$EXACT_MASS: 160.12857
CH$SMILES: CCCCCCCCSC
CH$IUPAC: InChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY
AHCJTMBRROLNHV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00190470
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-08fu-9100000000-e7b593934290979d6169
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
15 2.47 25
26 2.12 21
27 43.15 432
28 5.62 56
29 45.3 453
30 1.09 11
35 7.55 76
39 23.93 239
40 4.06 41
41 86.83 868
42 31.54 315
43 51.54 515
44 1.86 19
45 12.25 123
46 7.81 78
47 18.5 185
48 38.56 386
49 17.8 178
50 2.29 23
51 1.83 18
53 6.48 65
54 5.09 51
55 58.14 581
56 57.83 578
57 21.79 218
58 2.1 21
59 4.77 48
60 2.58 26
61 99.99 999
62 12.28 123
63 4.86 49
65 1.45 15
67 5.18 52
68 9.93 99
69 45.19 452
70 46.63 466
71 8.72 87
73 1.68 17
74 1.74 17
75 12.52 125
76 3.78 38
77 1.28 13
81 1.19 12
82 5.21 52
83 28.4 284
84 26.35 264
85 2.34 23
87 1.28 13
89 3.24 32
97 2.94 29
103 11.24 112
112 7.26 73
117 2 20
131 2.02 20
145 44.59 446
146 4.02 40
147 1.94 19
159 4.09 41
160 47.75 478
161 4.71 47
162 2.27 23
//