ACCESSION: MSBNK-RIKEN_ReSpect-PT202070
RECORD_TITLE: [(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate, D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; 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$NAME: [(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CH$NAME: D-Fructose-6-phosphate disodium salt hydrate
CH$NAME: Fru-6P
CH$NAME: F6P
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Fructose phosphate
CH$FORMULA: C₆H₁₃O₉P
CH$EXACT_MASS: 260.137
CH$SMILES: C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)
CH$LINK: CAS 643-13-0
CH$LINK: INCHIKEY BGWGXPAPYGQALX-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$SPLASH: splash10-0002-9000000000-8eb1e38efe76dc9e751c
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.9595 488.9 489
  96.9693 998.0 999
  259.0219 115.3 115
//