MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000948

ACRYLONITRILE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000948
RECORD_TITLE: ACRYLONITRILE; 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$NAME: ACRYLONITRILE
CH$NAME: 2-PROPENENITRILE
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: CAS 107-13-1
CH$LINK: INCHIKEY NLHHRLWOUZZQLW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020029

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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$SPLASH: splash10-0ufr-9000000000-6f90e7d1a86b1f47b939
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  24 3.7 37
  25 10.2 102
  26 78.5 785
  27 1.6 16
  28 4.4 44
  36 3.6 36
  37 6.2 62
  38 0.98 10
  39 3 30
  50 9.1 91
  51 33.5 335
  52 7.96 80
  53 99.99 999
  54 3.2 32
//