MassBank Record: KO002879



 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: KO002879
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 341 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00gl-0197000000-2c666d207be881c4ef28 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 162.000 29703.0 95 169.900 49505.0 159 170.300 54455.5 174 198.900 64356.5 206 203.700 29703.0 95 205.000 59406.0 190 215.400 19802.0 63 221.100 54455.5 174 225.400 202970.5 650 237.100 74257.5 238 242.900 19802.0 63 251.400 19802.0 63 259.200 29703.0 95 279.100 44554.5 143 280.500 39604.0 127 281.300 207921.0 666 283.200 54455.5 174 291.100 9901.0 32 297.200 64356.5 206 302.400 14851.5 48 303.200 54455.5 174 305.200 44554.5 143 309.100 49505.0 159 323.100 242574.5 777 324.000 44554.5 143 341.300 311881.5 999 341.800 54455.5 174 //