MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007366
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
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
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
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
//