MassBank Record: KO002301



 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002301
RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 170 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-053i-6900000000-59ba18558489e038f56c PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 43.000 44554.5 12 44.200 103960.5 27 55.300 59406.0 15 58.900 34653.5 9 65.000 74257.5 19 66.800 222772.5 58 68.800 74257.5 19 73.800 39604.0 10 77.800 24752.5 6 79.200 920793.0 239 80.100 2103962.5 546 81.300 316832.0 82 88.200 69307.0 18 91.000 193069.5 50 93.100 896040.5 232 97.000 123762.5 32 97.900 683169.0 177 106.000 2821785.0 732 107.300 930694.0 241 109.500 54455.5 14 110.300 44554.5 12 124.100 529703.5 137 135.200 3851489.0 999 //