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$EXACT_MASS: 260.02972
CH$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 1.9199999570846558 6.0
  83.2 2.8499999046325684 9.0
  85.1 10.760000228881836 32.0
  86.1 2.240000009536743 7.0
  93.0 4.690000057220459 14.0
  95.0 2.0799999237060547 6.0
  97.0 8.6899995803833 26.0
  98.2 1.149999976158142 3.0
  99.0 332.1000061035156 999.0
  109.0 9.15999984741211 28.0
  113.1 3.1500000953674316 9.0
  114.1 8.380000114440918 25.0
  115.0 2.7699999809265137 8.0
  117.1 5.139999866485596 15.0
  123.1 1.309999942779541 4.0
  127.1 93.66000366210938 282.0
  131.2 2.2300000190734863 7.0
  133.1 4.079999923706055 12.0
  141.1 7.230000019073486 22.0
  145.0 58.65999984741211 176.0
  147.1 8.59000015258789 26.0
  159.1 22.989999771118164 69.0
  165.1 1.4600000381469727 4.0
  167.0 1.5399999618530273 5.0
  168.9 1.309999942779541 4.0
  171.0 4.21999979019165 13.0
  173.1 1.4600000381469727 4.0
  175.0 7.760000228881836 23.0
  179.6 2.0 6.0
  182.2 5.239999771118164 16.0
  183.0 25.6299991607666 77.0
  185.1 5.389999866485596 16.0
  187.0 4.449999809265137 13.0
  195.0 3.990000009536743 12.0
  201.3 17.219999313354492 52.0
  207.0 235.72999572753906 709.0
  215.1 8.010000228881836 24.0
  225.1 83.61000061035156 252.0
  242.3 7.0 21.0
  243.2 111.61000061035156 336.0
  261.0 7.829999923706055 24.0
//