MassBank Record: KO001572



 Phosphoenolpyruvic acid; 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: KO001572
RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P007

CH$NAME: Phosphoenolpyruvate CH$NAME: PEP CH$NAME: Phosphoenolpyruvic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H5O6P CH$EXACT_MASS: 167.98237 CH$SMILES: C=C(C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) CH$LINK: CAS 138-08-9 CH$LINK: CHEBI 26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C CH$LINK: PUBCHEM SID:3374
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 167 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-ceae3587b1e7d8b3da27 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 78.900 68915910.5 999 83.000 123762.5 2 86.700 19802.0 1 96.600 113861.5 2 123.300 108911.0 2 136.700 386139.0 6 149.100 440594.5 6 150.800 44554.5 1 167.200 752476.0 11 //