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MassBank Record: PT203760

Gal-1P, alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate, Galactose-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt; LC-ESI-QTOF; MS2

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

ACCESSION: PT203760
RECORD_TITLE: Gal-1P, alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate, Galactose-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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$NAME: Gal-1P
CH$NAME: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate
CH$NAME: [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CH$NAME: Galactose-1P
CH$NAME: alpha-D-Galactopyranosyl 1-phosphate dipotassium salt
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Galactose 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$LINK: CAS 2255-14-3
CH$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$SPLASH: splash10-004i-9030000000-7fff706c8ccfa4e8ee82
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  78.96 1693.0 999
  96.9702 586.5 346
  138.9801 121.5 72
  241.0123 130.9 77
  259.0219 666.9 394
//

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