MassBank Record: RP023703



 D-Glucose-6-phosphate; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP023703
RECORD_TITLE: D-Glucose-6-phosphate; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
DATE: 2017.10.27
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 237

CH$NAME: D-Glucose-6-phosphate CH$NAME: Robison ester CH$NAME: [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C6H13O9P CH$EXACT_MASS: 260.0297 CH$SMILES: O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC(O)[C@@H]1O CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: CAS 56-73-5 CH$LINK: CHEBI 4170 CH$LINK: KEGG C00092 CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: CHEMSPIDER 5743
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 0.644 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 203.0525 MS$FOCUSED_ION: PRECURSOR_M/Z 261.037 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-0002-9000000000-b5a9e2dfcc3c67b525c9 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 69.0331 74 450 81.0338 80 487 95.0865 38 231 98.9837 164 999 //