MassBank Record: KO000753



 Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000753
RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
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(C(COP(O)(O)=O)1)C(O)C(O)(COP(O)(O)=O)O1 CH$IUPAC: InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6?/m1/s1 CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 339 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004j-9100000000-dd18aa0fe80da8504e42 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 59.100 99010.0 8 70.600 19802.0 2 72.900 99010.0 8 76.100 39604.0 3 78.900 11871299.0 999 80.900 24752.5 2 91.900 39604.0 3 97.000 11737635.5 988 100.900 34653.5 3 115.100 178218.0 15 118.900 24752.5 2 120.200 54455.5 5 121.200 54455.5 5 131.900 450495.5 38 133.900 14851.5 1 139.000 143564.5 12 151.100 99010.0 8 159.200 772278.0 65 162.600 49505.0 4 168.300 633664.0 53 170.000 544555.0 46 182.900 29703.0 2 196.900 14851.5 1 198.400 59406.0 5 205.000 9901.0 1 210.100 103960.5 9 211.300 386139.0 32 213.200 34653.5 3 339.800 14851.5 1 //