MassBank Record: PR100279



 D-Sorbitol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100279
RECORD_TITLE: D-Sorbitol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: D-Sorbitol CH$NAME: D-Sorbit CH$NAME: D-Glucitol CH$NAME: D-1,2,3,4,5,6-Hexanehexol CH$NAME: D-Sorbol CH$NAME: Cystosol CH$NAME: Glucarine CH$NAME: Diakarmon CH$NAME: Esasorb CH$NAME: Sorbol CH$COMPOUND_CLASS: Alditol CH$FORMULA: C6H14O6 CH$EXACT_MASS: 182.07904 CH$SMILES: OCC(O)C(O)C(O)C(O)CO CH$IUPAC: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6+ CH$LINK: CAS 50-70-4 CH$LINK: CHEMSPIDER 5576 CH$LINK: KEGG C00794 CH$LINK: KNAPSACK C00001173 CH$LINK: PUBCHEM CID:5780 CH$LINK: INCHIKEY FBPFZTCFMRRESA-FBXFSONDSA-N
AC$INSTRUMENT: UPLC 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: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DATE 2008.07.25 AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000) AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH) / H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 183.08683 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$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 14.19 484 147.0670 7.831 267 183.0868 4.797 164 //