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MassBank Record: JP001039

HEPTANE-4,4-DICARBOXYLIC ACID BIS(TRIMETHYLSILYL) ESTER; EI-B; MS

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

ACCESSION: JP001039
RECORD_TITLE: HEPTANE-4,4-DICARBOXYLIC 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$NAME: HEPTANE-4,4-DICARBOXYLIC ACID BIS(TRIMETHYLSILYL) ESTER
CH$NAME: DI(TRIMETHYLSILYL) 4,4-HEPTANEDICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H32O4Si2
CH$EXACT_MASS: 332.18391
CH$SMILES: CCCC(CCC)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C15H32O4Si2/c1-9-11-15(12-10-2,13(16)18-20(3,4)5)14(17)19-21(6,7)8/h9-12H2,1-8H3
CH$LINK: INCHIKEY DWLIUIJNJMCHOA-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$SPLASH: splash10-0002-9510000000-2402664434fca0bbb6dc
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  44 12.7 127
  45 20.5 205
  55 10.4 104
  69 1.94 19
  73 79.3 793
  75 20.1 201
  97 83.1 831
  147 99.99 999
  148 14.6 146
  171 16.1 161
  199 10.3 103
  259 5.04 50
  260 15.8 158
  261 25.7 257
//

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