MassBank Record: KO000759

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Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000759
RECORD_TITLE: Fructose 2,6-diphosphate; 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 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: COMPTOX DTXSID90897603
CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N
CH$LINK: KEGG C00665
CH$LINK: PUBCHEM SID:3934

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

PK$SPLASH: splash10-000i-0019000000-ac144f05c5e77a91705b
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  58.9 59406.0 11.0
  140.8 34653.5 7.0
  150.6 9901.0 2.0
  157.3 9901.0 2.0
  163.5 24752.5 5.0
  196.9 9901.0 2.0
  223.0 29703.0 6.0
  241.2 128713.0 24.0
  249.0 69307.0 13.0
  257.4 361386.0 68.0
  276.8 14851.5 3.0
  278.9 267327.0 50.0
  295.5 24752.5 5.0
  303.3 74257.5 14.0
  339.2 5292080.0 999.0
//