MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008061
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008061
RECORD_TITLE: BUTYRONITRILE; 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$NAME: BUTYRONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H7N
CH$EXACT_MASS: 69.05785
CH$SMILES: CCCC#N
CH$IUPAC: InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
CH$LINK: INCHIKEY
KVNRLNFWIYMESJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1026823
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002f-9000000000-75ac7dbf4e416e7bf457
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
27 14.34 143
28 2.28 23
29 56.98 570
30 1.4 14
39 1.65 17
41 99.99 999
42 3.68 37
54 1.27 13
68 1.02 10
//
system version 2.2.6-SNAPSHOT