ACCESSION: MSBNK-Keio_Univ-KO000760
RECORD_TITLE: Fructose 2,6-diphosphate; 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 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 20 V

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

PK$SPLASH: splash10-000m-2496000000-40ad2c4944ae5c0701f3
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  59.300 84158.5 74
  60.900 14851.5 13
  78.600 14851.5 13
  92.600 44554.5 39
  97.100 336634.0 297
  117.000 34653.5 31
  140.900 84158.5 74
  157.800 198020.0 174
  163.500 19802.0 17
  174.800 79208.0 70
  177.000 133663.5 118
  191.800 24752.5 22
  197.200 262376.5 231
  204.800 29703.0 26
  207.100 54455.5 48
  219.500 128713.0 113
  223.000 79208.0 70
  241.200 801981.0 707
  257.300 366337.0 323
  271.500 54455.5 48
  279.000 74257.5 65
  281.000 34653.5 31
  293.100 69307.0 61
  321.500 94059.5 83
  339.400 1133664.5 999
//