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MassBank Record: KO000556

Glycerone phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000556
RECORD_TITLE: Glycerone phosphate; LC-ESI-QQ; MS2; CE:30 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
CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6058768

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$FOCUSED_ION: PRECURSOR_M/Z 169
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9000000000-0f8d50d1d029df4e6c43
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  59.200 79208.0 14
  78.900 5737629.5 999
  85.400 133663.5 23
  87.000 39604.0 7
  97.000 2594062.0 452
  107.300 24752.5 4
//

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