MassBank Record: KO002669



 DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002669
RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:30 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 D037

CH$NAME: 2,3-Diaminopropionate CH$NAME: 2,3-Diaminopropanoic acid CH$NAME: 2,3-Diaminopropanoate CH$NAME: 2,3-Diaminopropionic acid CH$NAME: DL-2,3-Diaminopropionic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C3H8N2O2 CH$EXACT_MASS: 104.05858 CH$SMILES: NCC(N)C(O)=O CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) CH$LINK: CHEBI 18383 CH$LINK: KEGG C06393 CH$LINK: PUBCHEM SID:8629
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 105 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05g3-9000000000-0afff6d86fbbb402186a PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 42.100 405941.0 554 44.000 39604.0 54 45.300 19802.0 27 58.000 138614.0 189 59.000 465347.0 635 70.100 732674.0 999 76.200 227723.0 311 76.900 89109.0 122 88.200 485149.0 662 94.900 14851.5 20 //