MassBank Record: KO002124



 3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002124
RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A044

CH$NAME: 3-Aminopropionitrile CH$NAME: 3-Aminopropiononitrile CH$NAME: beta-Aminopropionitrile CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H6N2 CH$EXACT_MASS: 70.05310 CH$SMILES: NCCC#N CH$IUPAC: InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 CH$LINK: CAS 151-18-8 CH$LINK: KEGG C05670 CH$LINK: NIKKAJI J10.983E CH$LINK: PUBCHEM SID:7978
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 71 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-9000000000-d2707111f575b74b6f7d PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 29.900 44554.5 200 42.300 74257.5 333 54.000 222772.5 999 70.700 94059.5 422 //