MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009133
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009133
RECORD_TITLE: BENZYL METHYL 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$NAME: BENZYL METHYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10S
CH$EXACT_MASS: 138.05032
CH$SMILES: CSCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
CH$LINK: INCHIKEY
OFQPKKGMNWASPN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1061106
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$SPLASH: splash10-0006-9100000000-55d88a5b25c7e5156841
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 1.36 14
27 1.48 15
38 1.79 18
39 13.73 137
41 1.79 18
45 13.62 136
46 2.19 22
47 3.77 38
50 3.56 36
51 7 70
52 1.63 16
61 1.41 14
62 2.33 23
63 7.6 76
64 1.79 18
65 16.74 167
69 1.04 10
77 3.24 32
78 1.07 11
89 4.6 46
90 1.55 16
91 99.99 999
92 7.83 78
121 2.3 23
123 1.18 12
138 25.19 252
139 1.94 19
//
system version 2.2.6-SNAPSHOT