MassBank Record: KO009111

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D-Glucose 6-phosphate; LC-ESI-IT; MS3; m/z: 261/225; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO009111
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-IT; MS3; m/z: 261/225; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G003
COMMENT: [MS2] KO009109

CH$NAME: Glucose_6-phosphate
CH$NAME: Glucose 6-phosphate
CH$NAME: D-Glucose 6-phosphate
CH$NAME: Robison ester
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13O9P
CH$EXACT_MASS: 260.02971999999999752617441117763519287109375
CH$SMILES: OC(O1)[C@H](O)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O
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$LINK: CHEBI 15954
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N
CH$LINK: KEGG C00092
CH$LINK: NIKKAJI J40.066A J166.116G
CH$LINK: PUBCHEM SID:3392

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.45

MS$FOCUSED_ION: PRECURSOR_M/Z 261/225
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-004i-1900000000-df2274db8d236c10fdec
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  71.2 10.30 15
  81.1 40.82 60
  97.2 9.53 14
  99.1 57.28 83
  109.1 220.90 322
  114.2 3.46 5
  126.2 2.54 4
  127.0 685.33 999
  140.9 2.08 3
  168.3 2.54 4
  179.1 3.84 6
  184.1 5.07 7
  197.2 6.99 10
  207.0 43.81 64
  225.0 14.99 22
  239.0 10.75 16
//