ACCESSION: MSBNK-RIKEN_ReSpect-PT107850
RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt, [(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$NAME: Man-6P
CH$NAME: 6-phosphono-D-mannopyranose
CH$NAME: D-Mannose-6-phosphate mono sodium salt
CH$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 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 261.03752

PK$SPLASH: splash10-054k-9630000000-9ef73dfd273c4fc34787
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  69.0333 11.19 246
  80.971 2.492 55
  81.0333 7.591 167
  85.0281 9.637 212
  97.0267 4.189 92
  98.9836 45.43 999
  99.0443 3.476 76
  99.5096 5.671 125
  100.512 2.681 59
  109.028 38.49 846
  127.0368 19.18 422
  145.0504 3.378 74
  207.0027 2.572 57
  207.0267 2.65 58
  225.009 8.146 179
  243.0218 23.52 517
  261.0375 2.579 57
//