ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009162
RECORD_TITLE: PHENYLMETHANETHIOL; 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$NAME: PHENYLMETHANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈S
CH$EXACT_MASS: 124.03467
CH$SMILES: SCc(c1)cccc1
CH$IUPAC: InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
CH$LINK: INCHIKEY UENWRTRMUIOCKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026664

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$SPLASH: splash10-0006-9100000000-b022260ca59a5bfe044e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 1.65 17
  33 1.7 17
  38 2.82 28
  39 11.45 115
  41 1.2 12
  45 12.95 130
  47 1.13 11
  50 4.95 50
  51 8.84 88
  52 1.64 16
  61 1.41 14
  62 4.11 41
  63 7.98 80
  64 1.67 17
  65 14.73 147
  69 1.38 14
  77 4.68 47
  78 1.53 15
  79 1.11 11
  89 4.55 46
  90 1.57 16
  91 99.99 999
  92 8.11 81
  121 1.65 17
  124 30.4 304
  125 2.61 26
  126 1.2 12
//