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MassBank Record: KO000554

Glycerone phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000554
RECORD_TITLE: Glycerone phosphate; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-00kb-9600000000-050f206e1fed5aaa8c1f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  58.800 123762.5 11
  77.100 24752.5 2
  79.200 153465.5 14
  86.900 118812.0 11
  97.000 10896050.5 999
  100.500 14851.5 1
  102.800 34653.5 3
  125.100 242574.5 22
  130.900 1000001.0 92
  133.300 24752.5 2
  137.100 69307.0 6
  169.300 7351492.5 674
//

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