MassBank Record: KO000201



 2-Amino-3-phosphonopropionate; 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: KO000201
RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ufr-4900000000-a387ee1964c407a1e324 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 70.700 435644.0 21 77.500 717822.5 34 78.000 11346546.0 536 79.000 2396042.0 113 89.000 49505.0 2 94.700 24752.5 1 106.700 19802.0 1 124.200 84158.5 4 132.700 39604.0 2 148.700 29703.0 1 150.100 21143585.5 999 153.300 113861.5 5 167.900 6504957.0 307 //