MassBank Record: KO000752



 Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000752
RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 339 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9200000000-243829a8d2fe6d08d70e PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 59.200 143564.5 7 71.000 24752.5 1 72.800 29703.0 2 79.000 6371293.5 328 87.100 108911.0 6 91.300 34653.5 2 93.000 49505.0 3 95.000 19802.0 1 97.100 19401009.5 999 100.200 14851.5 1 100.900 69307.0 4 110.100 19802.0 1 113.000 29703.0 2 115.000 158416.0 8 119.500 34653.5 2 121.400 84158.5 4 124.800 34653.5 2 132.100 232673.5 12 134.200 14851.5 1 139.000 638614.5 33 151.100 529703.5 27 158.900 1386140.0 71 163.100 108911.0 6 168.000 1188120.0 61 168.500 128713.0 7 170.000 1420793.5 73 177.100 485149.0 25 179.300 168317.0 9 185.200 24752.5 1 195.300 44554.5 2 195.600 9901.0 1 197.400 84158.5 4 198.200 123762.5 6 210.300 331683.5 17 211.400 905941.5 47 211.800 103960.5 5 213.100 376238.0 19 218.900 24752.5 1 222.800 49505.0 3 223.500 9901.0 1 231.100 14851.5 1 241.400 202970.5 10 //