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MassBank Record: JP001113

HEXANEDIOIC ACID BIS(TRIMETHYLSILYL) ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP001113
RECORD_TITLE: HEXANEDIOIC ACID BIS(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$NAME: HEXANEDIOIC ACID BIS(TRIMETHYLSILYL) ESTER
CH$NAME: DI(TRIMETHYLSILYL) ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26O4Si2
CH$EXACT_MASS: 290.13696
CH$SMILES: O=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C12H26O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H2,1-6H3
CH$LINK: INCHIKEY DVGSOFSBBKDKRU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6066311

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$SPLASH: splash10-00fr-9410000000-04fa750756439db22706
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  45 9 90
  47 12.6 126
  55 29.7 297
  73 99.99 999
  74 10.6 106
  75 68.5 685
  83 23 230
  111 8.93 89
  117 15.9 159
  129 11.3 113
  141 44.3 443
  147 5.38 54
  149 12.4 124
  159 18.1 181
  172 20.8 208
  185 1.68 17
  217 10.4 104
  275 33.9 339
  276 5.9 59
//

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