MassBank Record: PT205430

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(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol, Cystosol, D-Sorbit, D-1,2,3,4,5,6-Hexanehexol, Diakarmon, Sorbol, Esasorb, D-Glucitol, D-Sorbitol, D-Sorbol, Glucarine; LC-ESI-QTOF; MS2
Mass Spectrum
Chemical Structure
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ACCESSION: PT205430
RECORD_TITLE: (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol, Cystosol, D-Sorbit, D-1,2,3,4,5,6-Hexanehexol, Diakarmon, Sorbol, Esasorb, D-Glucitol, D-Sorbitol, D-Sorbol, Glucarine; 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$NAME: (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol CH$NAME: Cystosol CH$NAME: D-Sorbit CH$NAME: D-1,2,3,4,5,6-Hexanehexol CH$NAME: Diakarmon CH$NAME: Sorbol CH$NAME: Esasorb CH$NAME: D-Glucitol CH$NAME: D-Sorbitol CH$NAME: D-Sorbol CH$NAME: Glucarine CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Monosaccharide CH$FORMULA: C6H14O6 CH$EXACT_MASS: 182.172 CH$SMILES: C(C(C(C(C(CO)O)O)O)O)O CH$IUPAC: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 CH$LINK: CAS 50-70-4 CH$LINK: INCHIKEY FBPFZTCFMRRESA-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 181.07123
PK$SPLASH: splash10-0089-6900000000-cc1e4b0fa1fdc8b45d20 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 59.0155 47.71 136 71.0152 179.7 511 73.0307 58.39 166 85.0307 30.38 86 89.0248 82.29 234 101.0241 146.6 417 113.0243 18.86 54 119.0344 15.07 43 163.0601 19.45 55 181.0712 351.1 999 //