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MassBank Record: JP000562

HEPTANOIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

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

ACCESSION: JP000562
RECORD_TITLE: HEPTANOIC 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$NAME: HEPTANOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O2Si
CH$EXACT_MASS: 202.13891
CH$SMILES: CCCCCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C10H22O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h5-9H2,1-4H3
CH$LINK: INCHIKEY AMUGRUMFZAKWNM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30336127

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$SPLASH: splash10-00bc-9000000000-f037a425ddffce519b23
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  42 8.1 81
  43 86.3 863
  45 54.8 548
  47 1.98 20
  49 7.7 77
  51 7.1 71
  55 21.7 217
  56 1.23 12
  57 8.4 84
  58 13.6 136
  59 7.7 77
  60 0.97 10
  61 7.7 77
  68 7.1 71
  69 8.7 87
  72 1.07 11
  73 73.7 737
  74 8.4 84
  75 99.99 999
  76 1 10
  77 40.5 405
  78 7.7 77
  115 6.8 68
  117 1.81 18
  131 7.4 74
  187 17.5 175
//

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