ACCESSION: MSBNK-Keio_Univ-KO002676
RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQ; MS2; CE:50 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 D038

CH$NAME: 2,4-Diaminobutyrate
CH$NAME: L-2,4-Diaminobutanoate
CH$NAME: alpha,gamma-Diaminobutyrate
CH$NAME: L-2,4-Diaminobutyrate
CH$NAME: 2,4-Diaminobutyric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀N₂O₂
CH$EXACT_MASS: 118.07423
CH$SMILES: NCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
CH$LINK: CAS 1758-80-1
CH$LINK: CHEBI 16028
CH$LINK: KEGG C03283
CH$LINK: NIKKAJI J80.310C
CH$LINK: PUBCHEM SID:6142
CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N

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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 119
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9000000000-235022305b68ba272d34
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  29.300 14851.5 68
  44.000 217822.0 999
  55.900 94059.5 431
//