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MassBank Record: KO000761

Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000761
RECORD_TITLE: Fructose 2,6-diphosphate; 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 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 30 V

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

PK$SPLASH: splash10-0002-9830000000-a9cbb8a3dba391a8858b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  59.100 103960.5 112
  66.700 9901.0 11
  74.100 34653.5 37
  79.100 138614.0 149
  97.000 930694.0 999
  99.000 69307.0 74
  117.900 163366.5 175
  136.900 34653.5 37
  138.700 29703.0 32
  141.400 29703.0 32
  151.100 34653.5 37
  155.100 24752.5 27
  158.100 173267.5 186
  158.800 94059.5 101
  161.000 89109.0 96
  163.700 14851.5 16
  177.100 183168.5 197
  180.900 39604.0 43
  197.100 336634.0 361
  207.100 9901.0 11
  223.000 74257.5 80
  241.100 435644.0 468
  256.800 24752.5 27
  339.300 44554.5 48
//

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