ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001105
RECORD_TITLE: CYCLOHEXENE-4-CARBOXYLIC 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$NAME: CYCLOHEXENE-4-CARBOXYLIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL CYCLOHEXENE-4-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂Si
CH$EXACT_MASS: 198.10761
CH$SMILES: C(C1)=CCC(C1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C10H18O2Si/c1-13(2,3)12-10(11)9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3
CH$LINK: INCHIKEY BFVIGVPKTFVFNX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80737564

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$SPLASH: splash10-00di-9200000000-67c5ceb8c0082d44b131
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  44 2.7 27
  45 9.8 98
  47 4.5 45
  51 0.17 2
  53 2.9 29
  55 2.1 21
  57 3.2 32
  58 0.32 3
  59 4.3 43
  61 2.7 27
  66 1.6 16
  72 0.16 2
  73 99.99 999
  74 9.8 98
  75 37.3 373
  76 0.23 2
  77 8.2 82
  78 1.7 17
  79 11.7 117
  80 4.66 47
  81 5.8 58
  107 1.6 16
  108 7.6 76
  117 0.68 7
  129 9.6 96
  131 1.7 17
  147 1.4 14
  154 0.45 5
  158 1.6 16
  183 20.5 205
  184 3.6 36
  198 3.2 32
//