ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007485
RECORD_TITLE: PHENYLTHIOACETIC ACID TRIMETHYLSILYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: PHENYLTHIOACETIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O2SSi
CH$EXACT_MASS: 240.06403
CH$SMILES: O=C(CSc(c1)cccc1)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C11H16O2SSi/c1-15(2,3)13-11(12)9-14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
CH$LINK: INCHIKEY XVQPISUQLXNRHH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30559273
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-00di-9330000000-d7fc1c799cc051319717
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  43 2.1 21
  44 1 10
  45 12.5 125
  47 0.4 4
  51 4.5 45
  61 2.1 21
  65 5 50
  69 0.13 1
  72 3.2 32
  73 99.99 999
  74 10.4 104
  75 2.54 25
  76 2.1 21
  77 5.8 58
  79 1.3 13
  91 0.42 4
  105 2.4 24
  109 7.4 74
  110 1.3 13
  113 0.21 2
  117 2.4 24
  121 1.6 16
  123 3.4 34
  135 0.18 2
  151 1.6 16
  165 3.7 37
  167 1.6 16
  169 0.42 4
  181 21.1 211
  182 2.9 29
  183 1.6 16
  196 1.12 11
  197 1.8 18
  225 17.9 179
  226 2.6 26
  227 0.13 1
  240 36 360
  241 6.1 61
  242 3.2 32
//
