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MassBank Record: KO000763

Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO000763
RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-004j-9100000000-9851b59e56acb7c5802c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  42.400 9901.0 11
  59.000 89109.0 98
  71.600 19802.0 22
  78.900 910892.0 999
  81.000 24752.5 27
  84.600 14851.5 16
  92.600 39604.0 43
  96.900 608911.5 668
  98.700 103960.5 114
  115.200 24752.5 27
  118.100 118812.0 130
  118.600 34653.5 38
  159.100 79208.0 87
  160.800 39604.0 43
//

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