MassBank Record: KO000859



 Glyceric 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: KO000859
RECORD_TITLE: Glyceric 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 G027

CH$NAME: Glycerate CH$NAME: Glyceric acid CH$NAME: D-Glycerate CH$NAME: (R)-Glycerate CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H6O4 CH$EXACT_MASS: 106.02661 CH$SMILES: OC[C@@H](O)C(O)=O CH$IUPAC: InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1 CH$LINK: CAS 473-81-4 CH$LINK: CHEBI 32398 CH$LINK: KEGG C00258 CH$LINK: NIKKAJI J5.966H CH$LINK: PUBCHEM SID:3557
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 105 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9400000000-a3e0c92f667ab9fdfbe5 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 43.100 237624.0 22 45.000 1450496.5 136 47.000 321782.5 30 56.900 4643569.0 434 59.200 3475251.0 325 72.700 579208.5 54 74.900 9029712.0 844 77.100 84158.5 8 86.700 29703.0 3 102.800 118812.0 11 105.000 10683179.0 999 //