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MassBank Record: PT101193

2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, D-Glucosamine-6-phosphate sodium salt, [(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate; LC-ESI-QTOF; MS2

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

ACCESSION: PT101193
RECORD_TITLE: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, D-Glucosamine-6-phosphate sodium salt, [(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate; LC-ESI-QTOF; MS2
DATE: 2008.07.24
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
CH$NAME: D-Glucosamine-6-phosphate sodium salt
CH$NAME: [(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Glucosamine phasphate
CH$FORMULA: C6H14NO8P
CH$EXACT_MASS: 259.153
CH$SMILES: C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
CH$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)
CH$LINK: CAS 3616-42-0
CH$LINK: INCHIKEY XHMJOUIAFHJHBW-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 260.0535

PK$SPLASH: splash10-08i0-1690000000-f08f9e49e698f1aa134d
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  84.0472 8.723 253
  98.066 3.578 104
  108.0511 5.798 168
  126.0603 25.34 736
  144.0716 12.55 365
  206.0274 10.61 308
  224.0401 6.027 175
  242.0579 3.449 100
  259.9533 4.443 129
  260.0535 34.38 999
//

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