ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009934
RECORD_TITLE: 1-PHENYLSULFONYLMETHYL-2,6,6-TRIMETHYLCYCLOHEXENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 1-PHENYLSULFONYLMETHYL-2,6,6-TRIMETHYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22O2S
CH$EXACT_MASS: 278.13405
CH$SMILES: CC(C1)=C(CS(=O)(=O)c(c2)cccc2)C(C)(C)CC1
CH$IUPAC: InChI=1S/C16H22O2S/c1-13-8-7-11-16(2,3)15(13)12-19(17,18)14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-12H2,1-3H3
CH$LINK: INCHIKEY WQRHISGXRFLGKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30342965
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-000i-4900000000-59988b520f7fbd1f52ef
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 0.9 9
  29 1.3 13
  39 1.9 19
  41 1.03 10
  43 3.1 31
  51 2.3 23
  53 2.8 28
  55 0.63 6
  57 3.9 39
  65 1.3 13
  67 5.6 56
  69 0.89 9
  77 7.8 78
  78 1.6 16
  79 5 50
  81 2.17 22
  91 3.9 39
  93 6.3 63
  94 0.8 8
  95 3.13 31
  96 2 20
  107 4.4 44
  109 2.3 23
  121 0.78 8
  122 1.7 17
  136 5.6 56
  137 99.99 999
  138 1.13 11
  141 0.4 4
  142 0.1 1
  143 1.2 12
  144 0.02 0
  145 0.1 1
  149 0.2 2
  278 1.1 11
  279 0.2 2
//
