ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004974
RECORD_TITLE: 3-PHENYLTHIOCYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3-PHENYLTHIOCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14OS
CH$EXACT_MASS: 206.07654
CH$SMILES: O=C(C2)CC(CC2)Sc(c1)cccc1
CH$IUPAC: InChI=1S/C12H14OS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-9H2
CH$LINK: INCHIKEY ODZCHNYVOXNEKZ-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-0aov-9120000000-635cc5a359f4bd8f1fb0
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  42 81.46 815
  45 4.95 50
  51 6.75 68
  53 3.85 39
  55 39.97 400
  65 13.39 134
  66 9.64 96
  67 6.02 60
  68 15.78 158
  69 99.99 999
  70 6.06 61
  77 7.33 73
  84 4.17 42
  91 3.82 38
  96 9.67 97
  97 77.41 774
  98 5.95 60
  109 17.28 173
  110 46.01 460
  111 3.84 38
  135 4.01 40
  206 77 770
  207 10.89 109
  208 4.37 44
//
