MassBank Record: JP001101

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ALPHA-CYCLOPENTYLPHENYLACETIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP001101
RECORD_TITLE: ALPHA-CYCLOPENTYLPHENYLACETIC 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$NAME: ALPHA-CYCLOPENTYLPHENYLACETIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL ALPHA-CYCLOPENTYL-ALPHA-PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H24O2Si
CH$EXACT_MASS: 276.15456
CH$SMILES: c(c2)ccc(c2)C(C(C1)CCC1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C16H24O2Si/c1-19(2,3)18-16(17)15(14-11-7-8-12-14)13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3
CH$LINK: INCHIKEY LLMWGMYFEFHAIY-UHFFFAOYSA-N

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$SPLASH: splash10-05fr-9410000000-1a009d85dbde8dc61b1b
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  45 9.9 99
  67 6.5 65
  73 99.99 999
  74 1.7 17
  75 22.7 227
  77 6.1 61
  91 24.3 243
  115 0.55 6
  117 8.5 85
  118 12.2 122
  158 67.9 679
  159 0.99 10
  208 12.2 122
  232 9.3 93
  261 10.2 102
  262 2.3 23
//