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
//