MassBank Record: KO000658



 2-Deoxyglucose 6-phosphate; 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: KO000658
RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQ; MS2; CE:50 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 D101

CH$NAME: 2-Deoxyglucose 6-phosphate CH$NAME: 2-Deoxy-D-glucose 6-phosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13O8P CH$EXACT_MASS: 244.03480 CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)1 CH$IUPAC: InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1 CH$LINK: CHEBI 16043 CH$LINK: KEGG C06369 CH$LINK: PUBCHEM SID:8605
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 243 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-6e55138944b3fe41a1b9 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 42.800 39604.0 2 55.300 118812.0 5 57.100 84158.5 4 59.200 84158.5 4 71.100 34653.5 2 79.100 21658437.5 999 80.300 14851.5 1 83.900 34653.5 2 84.900 148515.0 7 97.100 3376241.0 156 104.900 9901.0 1 121.000 39604.0 2 138.600 14851.5 1 //