MassBank Record: JP000563

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OCTANOIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP000563
RECORD_TITLE: OCTANOIC 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$NAME: OCTANOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H24O2Si
CH$EXACT_MASS: 216.15456
CH$SMILES: CCCCCCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C11H24O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h5-10H2,1-4H3
CH$LINK: CAS 55494-06-9
CH$LINK: INCHIKEY GRHSLTISTCPPAT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80334698

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$SPLASH: splash10-0umi-9550000000-506e27dc447a93122bb5
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  43 8.8 88
  45 8.4 84
  55 12.6 126
  67 0.84 8
  73 68.3 683
  74 9.8 98
  75 86.9 869
  76 0.88 9
  109 8 80
  117 53.5 535
  118 8.4 84
  129 2.07 21
  131 23.9 239
  132 19.7 197
  145 11.9 119
  201 99.99 999
  202 18.6 186
  203 8.4 84
//