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MassBank Record: JP004003

VALERONITRILE; EI-B; MS

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

ACCESSION: JP004003
RECORD_TITLE: VALERONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: VALERONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9N
CH$EXACT_MASS: 83.07350
CH$SMILES: CCCCC#N
CH$IUPAC: InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
CH$LINK: INCHIKEY RFFFKMOABOFIDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026275

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-004l-9000000000-5b742cee89fdaf664cfd
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  14 3.2 32
  15 10 100
  25 1.5 15
  26 1.26 13
  27 61 610
  28 21.4 214
  29 21.3 213
  37 0.31 3
  38 5.9 59
  39 25.9 259
  40 8.1 81
  41 99.99 999
  42 6.1 61
  43 9.2 92
  44 3 30
  50 0.15 2
  51 3.3 33
  52 5 50
  53 2.5 25
  54 5.01 50
  55 21 210
  56 2.3 23
  57 2.9 29
  64 0.16 2
  66 1.1 11
  68 2 20
  82 3 30
//

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