MassBank Record: KO000555



 Glycerone phosphate; 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: KO000555
RECORD_TITLE: Glycerone phosphate; 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 D014

CH$NAME: Dihydroxyacetone phosphate CH$NAME: Glycerone phosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H7O6P CH$EXACT_MASS: 169.99802 CH$SMILES: OCC(=O)COP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) CH$LINK: CHEBI 16108 CH$LINK: KEGG C00111 CH$LINK: PUBCHEM SID:3411
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 169 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9100000000-c7eb3c008e10f8e15386 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 59.200 138614.0 15 70.900 29703.0 3 76.700 14851.5 2 79.000 2549507.5 268 84.500 29703.0 3 87.000 99010.0 10 92.900 14851.5 2 96.800 9509910.5 999 109.100 24752.5 3 123.500 24752.5 3 125.100 386139.0 41 131.100 638614.5 67 132.800 14851.5 2 136.800 49505.0 5 140.900 9901.0 1 153.800 9901.0 1 169.000 475248.0 50 //