MassBank Record: KO002673



 2,4-Diaminobutyric acid; 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: KO002673
RECORD_TITLE: 2,4-Diaminobutyric acid; 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 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$LINK: PUBCHEM SID:6142
AC$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$FOCUSED_ION: PRECURSOR_M/Z 119 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0uk9-9800000000-2846e6524438703ab54d PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 44.100 1227724.0 112 46.200 19802.0 2 55.000 153465.5 14 56.300 3207924.0 292 57.200 59406.0 5 58.400 29703.0 3 60.100 29703.0 3 61.100 133663.5 12 69.100 693070.0 63 71.700 39604.0 4 72.900 3009904.0 274 74.000 4475252.0 408 83.000 173267.5 16 84.200 1405942.0 128 85.100 346535.0 32 87.800 24752.5 2 90.500 39604.0 4 101.000 3000003.0 273 102.000 10960407.0 999 119.300 376238.0 34 //