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MassBank Record: MSBNK-RIKEN_ReSpect-PT103770

alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate, Glc-1,6P; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT103770
RECORD_TITLE: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate, Glc-1,6P; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate
CH$NAME: alpha-D-Glucose 1,6-diphosphate potassium salt hydrate
CH$NAME: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
CH$NAME: Glc-1,6P
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Glucose phosphate
CH$FORMULA: C6H14O12P2
CH$EXACT_MASS: 340.118
CH$SMILES: C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)
CH$LINK: CAS 10139-18-1
CH$LINK: INCHIKEY RWHOZGRAXYWRNX-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 Ramp 5-45 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 341.00385

PK$SPLASH: splash10-000i-2009000000-e9f46d42ef8c09fd615f
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  69.0576 4.064 332
  339.2899 12.24 999
  340.292 4.754 388
//

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