MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004297
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
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
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
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
//