MassBank Record: KO001596



 2-Phosphoglycerate; 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: KO001596
RECORD_TITLE: 2-Phosphoglycerate; 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 185 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9100000000-1518e606c03a8697d1b9 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 59.100 29703.0 1 79.000 43074300.5 999 86.800 163366.5 4 88.900 29703.0 1 95.000 24752.5 1 96.900 19079227.0 442 102.300 123762.5 3 102.800 262376.5 6 104.600 29703.0 1 123.200 89109.0 2 136.900 138614.0 3 138.600 29703.0 1 140.600 49505.0 1 166.900 1514853.0 35 185.200 6297036.0 146 //