MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000572

OCTADECANOIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000572
RECORD_TITLE: OCTADECANOIC 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

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CH$NAME: OCTADECANOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₄O₂Si
CH$EXACT_MASS: 356.31106
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C21H44O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h5-20H2,1-4H3
CH$LINK: CAS 18748-91-9
CH$LINK: INCHIKEY DDLPZVTUKLKVQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90940209

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00xr-9600000000-b8666b4a871511e0a1cd
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  43 30.6 306
  55 25.4 254
  57 16.9 169
  67 1.01 10
  69 11.1 111
  73 99.99 999
  74 10 100
  75 6.33 63
  117 83.2 832
  129 35.1 351
  131 10.6 106
  132 3.52 35
  145 17.9 179
  341 16.6 166
  356 2 20
//