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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006779

BENZENETHIOL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
//

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