MassBank Record: KO009110

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D-Glucose 6-phosphate; LC-ESI-IT; MS3; m/z: 261/243; [M+H]+

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

ACCESSION: KO009110
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-IT; MS3; m/z: 261/243; [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 0.70/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 261/243
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-052b-7590000000-5cdbc23378480ac55c4f
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  71.2 1.92 6
  83.2 2.85 9
  85.1 10.76 32
  86.1 2.24 7
  93.0 4.69 14
  95.0 2.08 6
  97.0 8.69 26
  98.2 1.15 3
  99.0 332.10 999
  109.0 9.16 28
  113.1 3.15 9
  114.1 8.38 25
  115.0 2.77 8
  117.1 5.14 15
  123.1 1.31 4
  127.1 93.66 282
  131.2 2.23 7
  133.1 4.08 12
  141.1 7.23 22
  145.0 58.66 176
  147.1 8.59 26
  159.1 22.99 69
  165.1 1.46 4
  167.0 1.54 5
  168.9 1.31 4
  171.0 4.22 13
  173.1 1.46 4
  175.0 7.76 23
  179.6 2.00 6
  182.2 5.24 16
  183.0 25.63 77
  185.1 5.39 16
  187.0 4.45 13
  195.0 3.99 12
  201.3 17.22 52
  207.0 235.73 709
  215.1 8.01 24
  225.1 83.61 252
  242.3 7.00 21
  243.2 111.61 336
  261.0 7.83 24
//