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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007499

ISONICOTINIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007499
RECORD_TITLE: ISONICOTINIC 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$NAME: ISONICOTINIC ACID TRIMETHYLSILYL ESTER
CH$NAME: PYRIDINE-4-CARBOXYLIC ACID TRIMETHYLSILYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NO2Si
CH$EXACT_MASS: 195.07156
CH$SMILES: O=C(O[Si](C)(C)C)c(c1)ccnc1
CH$IUPAC: InChI=1S/C9H13NO2Si/c1-13(2,3)12-9(11)8-4-6-10-7-5-8/h4-7H,1-3H3
CH$LINK: INCHIKEY VQVREJHPRSVZBD-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$SPLASH: splash10-001i-4900000000-90e32c65a8f4480406ed
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  43 2.3 23
  45 5 50
  47 4.4 44
  50 0.37 4
  51 18.9 189
  52 1 10
  57 1.6 16
  59 0.13 1
  61 1 10
  73 4 40
  74 4 40
  76 0.06 1
  77 1 10
  78 29.1 291
  79 1.3 13
  83 0.1 1
  90 5 50
  106 40.6 406
  107 1.6 16
  136 2.57 26
  137 3.3 33
  138 1.3 13
  180 99.99 999
  181 1.38 14
  182 4.7 47
  195 6.1 61
//

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