ACCESSION: MSBNK-Keio_Univ-KO002123
RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:10 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
CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6048418

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 10 V

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

PK$SPLASH: splash10-00di-9000000000-6a162c90ff7c10fa232c
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  29.300 34653.5 6
  35.100 29703.0 5
  38.900 79208.0 14
  71.100 5831689.0 999
  116.900 24752.5 4
//