MassBank Record: KO002126

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3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002126
RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:40 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: 70.053100000000000591171556152403354644775390625
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: COMPTOX DTXSID6048418
CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N
CH$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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 71
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-9000000000-bc2e9976335d260923dd
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  53.600 9901.0 999
//