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MassBank Record: MSBNK-RIKEN_ReSpect-PT202210

D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P, [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT202210
RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P, [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate; 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$NAME: D-Mannose-6-phosphate barium salt hydrate
CH$NAME: 6-phosphono-D-mannopyranose
CH$NAME: Man-6P
CH$NAME: [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Mannose phosphate
CH$FORMULA: C6H13O9P
CH$EXACT_MASS: 260.137
CH$SMILES: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)
CH$LINK: CAS 3672-15-9
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-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$SPLASH: splash10-002b-9010000000-20a29fec5268ce283612
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.9602 6077.0 615
  96.9699 9876.0 999
  259.0219 1777.0 180
//

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