MassBank Record: KO000202



 2-Amino-3-phosphonopropionate; 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: KO000202
RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-d60e9dd01c1955aa2a29 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 62.900 306931.0 18 70.900 1960398.0 115 78.000 17044571.5 999 79.100 5643570.0 331 83.100 29703.0 2 94.500 34653.5 2 106.700 64356.5 4 107.100 34653.5 2 123.200 24752.5 1 131.800 103960.5 6 133.100 24752.5 1 150.100 1797031.5 105 168.000 158416.0 9 //