ACCESSION: MSBNK-Keio_Univ-KO008968
RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-IT; MS2; m/z: 260; [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 G021

CH$NAME: D-Glucosamine 6-phosphate
CH$NAME: D-Glucosamine phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄NO₈P
CH$EXACT_MASS: 259.04570
CH$SMILES: OC(O1)[C@H](N)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1
CH$LINK: CAS 3616-42-0
CH$LINK: CHEBI 15873
CH$LINK: KEGG C00352
CH$LINK: PUBCHEM 3645
CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-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 0.55

MS$FOCUSED_ION: PRECURSOR_M/Z 260
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-004l-0590000000-f84537d79c4dd9f70893
PK$ANNOTATION: m/z struct. num formula mass
  126.1 0 1 C6H8NO2 126.0555
  144.1 0 1 C6H10NO3 144.06607
  206.0 1 1 C6H9NO5P 206.02183
  224.0 0 1 C6H11NO6P 224.0324
  242.0 0 1 C6H13NO7P 242.04296
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  72.2 16.27 1
  80.1 125.36 3
  81.1 64.74 1
  83.0 5.06 1
  84.1 1367.81 28
  95.2 22.12 1
  97.0 71.18 1
  98.1 995.46 20
  99.0 24.06 1
  100.2 7.12 1
  102.1 12.94 1
  104.0 11.06 1
  105.1 4.12 1
  106.0 26.21 1
  108.1 528.98 11
  109.1 403.50 8
  113.1 16.88 1
  114.1 9.79 1
  122.0 4.68 1
  125.2 10.94 1
  126.1 48829.18 999
  127.0 66.59 1
  129.1 10.44 1
  131.1 3.79 1
  132.1 5.47 1
  132.9 5.62 1
  139.0 19.03 1
  141.0 59.42 1
  143.1 20.79 1
  144.1 3598.30 74
  150.1 24.53 1
  155.1 65.45 1
  162.0 16.56 1
  168.9 10.41 1
  171.1 17.03 1
  174.9 13.88 1
  178.0 45.86 1
  179.9 9.06 1
  185.1 48.97 1
  186.1 28.09 1
  187.1 59.36 1
  187.8 37.50 1
  188.9 22.12 1
  197.1 24.30 1
  199.1 3.47 1
  202.3 27.32 1
  203.9 3.47 1
  206.0 14700.62 301
  207.1 3.50 1
  214.0 7.29 1
  215.1 22.30 1
  220.2 6.32 1
  223.3 62.15 1
  224.0 22995.08 470
  228.0 6.06 1
  229.2 4.82 1
  232.0 23.80 1
  234.9 14.18 1
  239.1 3.82 1
  241.2 707.20 14
  242.0 46740.48 956
  242.9 248.40 5
  243.8 38.38 1
  244.5 27.15 1
  246.1 2.26 1
  255.4 5.50 1
  259.2 164.66 3
  260.2 1102.34 23
  260.9 15.06 1
  261.9 4.24 1
  263.0 72.42 1
  263.8 18.88 1
  264.9 4.88 1
  266.8 51.98 1
  268.9 14.62 1
  276.9 8.15 1
  282.7 26.53 1
  287.2 49.62 1
//