MassBank Record: KO001597



 2-Phosphoglycerate; 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: KO001597
RECORD_TITLE: 2-Phosphoglycerate; 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 P029

CH$NAME: 2-Phosphoglycerate CH$NAME: D-Glycerate 2-phosphate CH$NAME: 2-Phospho-D-glycerate CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H7O7P CH$EXACT_MASS: 185.99294 CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI 17835 CH$LINK: KEGG C00631 CH$LINK: PUBCHEM SID:3904
AC$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$FOCUSED_ION: PRECURSOR_M/Z 185 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-66ec419add3cb3e1fd32 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 59.300 39604.0 1 60.400 9901.0 1 79.000 41950537.0 999 85.000 19802.0 1 88.700 24752.5 1 96.900 14811896.0 353 102.900 99010.0 2 105.100 163366.5 4 122.900 29703.0 1 137.200 267327.0 6 149.000 128713.0 3 166.900 79208.0 2 184.900 113861.5 3 //