MassBank Record: KO000750



 Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000750
RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 339 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000j-7569000000-ff7fa7fae34564d512e6 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 59.100 138614.0 9 79.000 64356.5 4 86.800 59406.0 4 93.300 94059.5 6 97.100 12465359.0 852 100.700 19802.0 1 115.300 99010.0 7 116.600 19802.0 1 139.000 490099.5 34 142.900 297030.0 20 150.900 69307.0 5 151.200 153465.5 10 158.800 138614.0 9 162.800 19802.0 1 165.200 24752.5 2 168.200 2103962.5 144 168.500 935644.5 64 170.400 2470299.5 169 175.000 198020.0 14 177.300 1074258.5 73 180.800 74257.5 5 192.100 29703.0 2 195.000 69307.0 5 195.400 69307.0 5 197.200 44554.5 3 205.100 39604.0 3 210.800 29703.0 2 212.400 772278.0 53 213.200 3900994.0 267 218.900 59406.0 4 223.000 440594.5 30 241.100 4970302.0 340 249.100 163366.5 11 251.100 29703.0 2 256.800 74257.5 5 267.000 103960.5 7 279.300 490099.5 34 294.200 49505.0 3 295.200 316832.0 22 303.200 19802.0 1 321.200 198020.0 14 337.300 19802.0 1 339.200 14608925.5 999 //