MassBank Record: KO000749

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Fructose 1,6-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: KO000749
RECORD_TITLE: Fructose 1,6-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 F008

CH$NAME: Fructose 1,6-diphosphate
CH$NAME: D-Fructose 1,6-bisphosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O12P2
CH$EXACT_MASS: 339.99605000000002519300323911011219024658203125
CH$SMILES: OC(COP(O)(O)=O)C(O)C(O)C(=O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
CH$LINK: CAS 488-69-7
CH$LINK: CHEBI 16905
CH$LINK: INCHIKEY XPYBSIWDXQFNMH-UYFOZJQFSA-N
CH$LINK: KEGG C00354
CH$LINK: NIKKAJI J15.941G
CH$LINK: PUBCHEM SID:3647

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$SPLASH: splash10-000i-0109000000-5374d73d3b6f0d1d67cc
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  58.600 29703.0 1
  97.300 79208.0 1
  115.100 64356.5 1
  126.600 14851.5 1
  151.000 69307.0 1
  152.200 64356.5 1
  163.200 14851.5 1
  168.100 3084161.5 52
  170.000 3267330.0 56
  175.000 54455.5 1
  213.000 178218.0 3
  241.100 237624.0 4
  256.600 19802.0 1
  279.100 762377.0 13
  294.400 143564.5 2
  295.300 2202972.5 37
  301.000 14851.5 1
  303.600 19802.0 1
  339.300 58742633.0 999
//