MassBank Record: KO000204



 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000204
RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A131

CH$NAME: 2-Amino-3-phosphonopropionate CH$NAME: 2-Amino-3-phosphonopropanoate CH$NAME: Phosphonoalanine CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H8NO5P CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 CH$LINK: PUBCHEM SID:7979
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-d4bd00a29f208f0b6c4f PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 63.200 1574259.0 239 71.000 381188.5 58 78.000 5752481.0 873 78.800 6579214.5 999 //