MassBank Record: KO000749



 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) \n

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$EXACT_MASS: 339.99605 CH$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: 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 //