MassBank Record: RP023701



 D-Glucose-6-phosphate; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP023701
RECORD_TITLE: D-Glucose-6-phosphate; LC-ESI-QTOF; MS2; CE: 10; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 AC$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$SPLASH: splash10-000g-4890000000-acaad604bed2494a4553 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 85.0294 174 455 98.9847 156 407 109.0275 48 125 116.9941 46 120 119.9835 64 167 145.0465 86 224 155.9769 38 99 163.0621 188 491 187.9697 74 193 192.0589 48 125 197.9738 52 135 207.0043 128 334 222.0396 36 94 225.0153 50 130 243.0249 382 999 244.0331 70 183 //