MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004297

ACRYLONITRILE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004297
RECORD_TITLE: ACRYLONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: ACRYLONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₃N
CH$EXACT_MASS: 53.02655
CH$SMILES: C=CC#N
CH$IUPAC: InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
CH$LINK: INCHIKEY NLHHRLWOUZZQLW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020029

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0udi-9000000000-7a856e7548b46b71236f
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  12 1.21 12
  24 1.68 17
  25 6.44 64
  26 83.96 840
  27 13.25 133
  28 4.01 40
  36 1.87 19
  37 4.2 42
  38 5.69 57
  39 1.96 20
  50 8.3 83
  51 33.12 331
  52 81.16 812
  53 99.99 999
  54 5.41 54
//