ACCESSION: MSBNK-RIKEN_ReSpect-PT211260
RECORD_TITLE: [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate, alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QTOF; MS2
DATE: 2008.07.29
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$NAME: [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CH$NAME: alpha-D-Glucopyranose 1-phosphate
CH$NAME: alpha-D-glucose-1-phosphate dipotassium salt dihydate
CH$NAME: alpha-Glu-1P
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Glucose phosphate
CH$FORMULA: C₆H₁₃O₉P
CH$EXACT_MASS: 260.137
CH$SMILES: C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
CH$IUPAC: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)
CH$LINK: CAS 59-56-3
CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-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 NEGATIVE
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 259.02192

PK$SPLASH: splash10-004i-9030000000-cc7fbcb760461482d91a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  78.9599 2345.0 999
  96.9702 539.8 230
  138.9801 217.4 93
  241.0119 353.5 151
  259.0219 703.2 300
//