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MassBank Record: KO000762

Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO000762
RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:40 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 F010

CH$NAME: Fructose 2,6-diphosphate
CH$NAME: D-Fructose 2,6-bisphosphate
CH$NAME: beta-D-Fructose 2,6-bisphosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O12P2
CH$EXACT_MASS: 339.99605
CH$SMILES: OCC(O1)(C(O)C(O)C(COP(O)(O)=O)1)OP(O)(O)=O
CH$IUPAC: InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
CH$LINK: CHEBI 28602
CH$LINK: KEGG C00665
CH$LINK: PUBCHEM SID:3934
CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N
CH$LINK: COMPTOX DTXSID90897603

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 339
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-002b-9200000000-6dcaff4e5eee3799656f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  56.400 14851.5 15
  59.100 188119.0 189
  72.400 24752.5 25
  74.000 44554.5 45
  79.000 579208.5 582
  93.100 39604.0 40
  97.000 995050.5 999
  99.000 103960.5 104
  118.000 163366.5 164
  139.000 34653.5 35
  158.000 29703.0 30
  159.300 138614.0 139
  161.200 34653.5 35
  163.100 84158.5 84
  166.900 59406.0 60
  174.800 34653.5 35
  176.900 24752.5 25
  241.000 108911.0 109
//

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