MassBank Record: KO002299



 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: KO002299
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: Phosphonoalanine CH$NAME: 2-Amino-3-phosphonopropanoate CH$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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 170 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fk9-0900000000-1bdc3c8b987a5343acb6 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 67.300 19802.0 2 68.900 74257.5 6 70.300 14851.5 1 72.500 24752.5 2 83.000 128713.0 10 89.100 29703.0 2 91.200 79208.0 6 92.800 183168.5 14 95.100 123762.5 10 97.200 153465.5 12 98.800 24752.5 2 105.800 1405942.0 111 107.000 94059.5 7 107.400 14851.5 1 109.000 99010.0 8 111.200 54455.5 4 124.100 12702983.0 999 135.200 3905944.5 307 137.800 267327.0 21 152.200 7524760.0 592 153.100 792080.0 62 170.100 985149.5 77 //