ACCESSION: MSBNK-Keio_Univ-KO009109
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-IT; MS2; m/z: 261; [M+H]+
DATE: 2011.05.10 (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

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: KEGG C00092
CH$LINK: NIKKAJI J40.066A J166.116G
CH$LINK: PUBCHEM SID:3392
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70

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

PK$SPLASH: splash10-0006-0290000000-070cf6d44b2dcbaf7b3d
PK$ANNOTATION: m/z struct. num formula mass
  99.0 1 1 H4O4P 98.98472
  207.0 0 1 C6H8O6P 207.00585
  225.0 0 1 C6H10O7P 225.01641
  243.0 0 1 C6H12O8P 243.02698
PK$NUM_PEAK: 159
PK$PEAK: m/z int. rel.int.
  53.3 6.25 1
  74.1 3.56 1
  79.2 9.50 2
  80.3 1.69 1
  81.1 16.81 3
  84.2 17.32 3
  85.1 23.13 4
  86.2 14.69 2
  87.1 2.00 1
  89.1 13.56 2
  90.2 3.31 1
  91.1 15.75 2
  92.1 1.63 1
  93.1 1.44 1
  94.0 1.56 1
  95.2 26.12 4
  97.0 6.06 1
  98.2 34.44 5
  99.0 721.50 114
  102.0 5.63 1
  103.1 6.88 1
  105.2 23.63 4
  106.1 12.75 2
  107.1 64.12 10
  109.0 88.32 14
  110.1 8.00 1
  111.1 21.62 3
  112.2 1.50 1
  113.1 6.13 1
  114.0 1.75 1
  115.0 2.19 1
  116.2 44.50 7
  117.0 24.56 4
  119.1 36.06 6
  120.0 2.50 1
  121.1 38.81 6
  122.1 3.13 1
  123.1 22.69 4
  124.1 1.56 1
  125.1 4.81 1
  127.1 455.82 72
  129.1 7.75 1
  131.0 38.44 6
  132.2 6.56 1
  133.0 51.19 8
  135.1 66.07 10
  136.1 6.88 1
  137.1 41.32 7
  139.0 10.87 2
  139.9 0.81 1
  141.0 22.13 4
  142.1 2.19 1
  143.1 4.75 1
  144.1 1.25 1
  145.1 58.88 9
  147.1 17.00 3
  149.1 45.75 7
  151.0 26.75 4
  153.1 1.56 1
  155.1 15.06 2
  156.0 17.94 3
  157.0 5.50 1
  158.1 3.88 1
  159.1 45.82 7
  160.2 4.75 1
  161.1 15.82 3
  162.1 3.62 1
  163.2 26.69 4
  164.0 4.06 1
  165.0 5.00 1
  166.1 1.44 1
  167.1 10.13 2
  168.1 109.88 17
  169.1 19.62 3
  171.0 21.13 3
  171.8 4.00 1
  173.2 39.63 6
  174.0 31.44 5
  175.2 25.94 4
  175.9 8.63 1
  177.2 31.31 5
  178.1 4.94 1
  179.0 70.38 11
  182.1 7.25 1
  183.1 33.50 5
  184.0 27.57 4
  185.2 35.38 6
  186.0 13.88 2
  187.2 44.56 7
  188.2 4.19 1
  189.0 15.50 2
  190.1 6.19 1
  191.1 39.62 6
  193.1 6.50 1
  194.0 5.12 1
  195.0 1.44 1
  197.1 2.44 1
  198.1 5.31 1
  199.2 61.69 10
  200.0 4.37 1
  201.1 59.31 9
  202.1 2.06 1
  203.1 38.62 6
  204.0 1.44 1
  205.1 126.56 20
  207.0 358.32 57
  211.1 6.56 1
  212.1 1.44 1
  213.1 14.50 2
  214.1 4.81 1
  215.1 62.31 10
  216.0 7.38 1
  217.2 57.13 9
  218.2 6.31 1
  219.0 57.56 9
  220.7 1.69 1
  223.2 4.31 1
  224.1 19.69 3
  225.0 1275.16 202
  226.1 3.69 1
  229.2 35.69 6
  230.1 1.50 1
  231.1 4.75 1
  232.2 17.43 3
  233.2 31.06 5
  237.0 15.94 3
  238.7 2.50 1
  242.1 124.31 20
  243.0 6316.09 999
  244.0 112.88 18
  245.0 20.31 3
  246.3 14.19 2
  247.6 2.25 1
  248.5 6.31 1
  249.6 3.00 1
  250.8 4.06 1
  251.9 3.31 1
  257.1 2.31 1
  258.4 1.94 1
  259.3 2.50 1
  260.3 147.94 23
  261.2 166.00 26
  262.1 6.19 1
  262.8 8.69 1
  264.0 8.06 1
  265.0 8.19 1
  266.4 3.06 1
  270.2 1.56 1
  271.1 5.31 1
  276.9 3.06 1
  278.9 0.62 1
  280.1 8.38 1
  280.9 4.31 1
  282.1 18.50 3
  283.4 3.50 1
  284.8 9.13 1
  291.4 5.12 1
  301.6 1.69 1
  306.1 7.56 1
//