MassBank Record: PT105430

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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: PT105430
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: 2008.07.25
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 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 183.08683
PK$SPLASH: splash10-014j-9400000000-b1a4333d6a3b1528975a PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 69.0348 29.31 999 83.0515 14.51 495 85.0293 8.822 301 87.0457 5.312 181 97.9702 4.814 164 99.0441 7.779 265 99.5119 8.473 289 111.0456 9.472 323 129.0571 14.19 484 147.067 7.831 267 183.0868 4.797 164 //