MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007366

ACRYLONITRILE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007366
RECORD_TITLE: ACRYLONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0udi-9000000000-71e029b11b3af3c757fa
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  24 2.01 20
  25 5.52 55
  26 71.77 718
  27 9.89 99
  28 3.59 36
  36 1.52 15
  37 3.18 32
  38 4.01 40
  39 1.38 14
  50 6.71 67
  51 28.99 290
  52 67.68 677
  53 99.99 999
  54 3.53 35
//