MassBank Record: KO000751



 Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000751
RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 339 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9320000000-440fa5d79afcd94ab0d7 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 59.200 113861.5 5 70.600 14851.5 1 79.200 1891091.0 84 86.900 173267.5 8 93.100 49505.0 2 97.200 22450517.5 999 101.000 108911.0 5 110.500 34653.5 2 115.100 198020.0 9 117.100 29703.0 1 124.100 59406.0 3 132.100 34653.5 2 133.800 14851.5 1 139.000 1341585.5 60 143.300 183168.5 8 151.100 851486.0 38 158.800 1158417.0 52 163.100 44554.5 2 165.200 29703.0 1 168.000 1450496.5 65 168.300 594060.0 26 169.000 420792.5 19 170.400 1737625.5 77 175.300 99010.0 4 176.900 1564358.0 70 178.700 74257.5 3 181.300 143564.5 6 193.400 54455.5 2 195.100 39604.0 2 197.200 108911.0 5 198.600 19802.0 1 205.300 99010.0 4 210.100 123762.5 6 211.300 673268.0 30 212.200 425743.0 19 213.300 2277230.0 101 219.000 103960.5 5 223.000 297030.0 13 236.900 49505.0 2 241.000 1257427.0 56 249.000 74257.5 3 259.100 34653.5 2 261.200 29703.0 1 266.800 14851.5 1 279.400 49505.0 2 339.100 316832.0 14 //