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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)

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
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 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
//

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