MassBank Record: JP000948



 ACRYLONITRILE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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

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
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$SPLASH: splash10-0ufr-9000000000-6f90e7d1a86b1f47b939 PK$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 //