MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006779
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006779
RECORD_TITLE: BENZENETHIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: BENZENETHIOL
CH$NAME: THIOPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6S
CH$EXACT_MASS: 110.01902
CH$SMILES: Sc(c1)cccc1
CH$IUPAC: InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
CH$LINK: INCHIKEY
RMVRSNDYEFQCLF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7026811
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-03di-8900000000-f00b12d067160b203ec9
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
37 1.75 18
38 2.63 26
39 9.65 97
45 6.2 62
50 6.26 63
51 9.82 98
55 2.75 28
57 1.75 18
58 2.98 30
63 2.63 26
65 10.64 106
66 33.92 339
69 7.6 76
77 11.58 116
84 14.56 146
108 2.46 25
109 22.11 221
110 99.99 999
111 8.25 83
112 4.62 46
//
system version 2.2.6-SNAPSHOT