MassBank Record: PR100904

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D-(-)-Mannitol; 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
metabolomics-usi visualisation

ACCESSION: PR100904
RECORD_TITLE: D-(-)-Mannitol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: D-(-)-Mannitol CH$NAME: Mannite CH$NAME: Cordycepic acid CH$NAME: Manita CH$NAME: Manicol CH$NAME: Mannidex CH$NAME: Osmosal CH$NAME: Diosmol CH$NAME: Isotol CH$NAME: Mannigen CH$NAME: Mannitolum CH$NAME: Resectisol CH$NAME: Manna sugar CH$NAME: 1,2,3,4,5,6-Hexanehexol CH$NAME: Osmitrol CH$COMPOUND_CLASS: Alditol CH$FORMULA: C6H14O6 CH$EXACT_MASS: 182.07904 CH$SMILES: OCC([H])(O)C([H])(O)C([H])(O)C([H])(O)CO CH$IUPAC: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 CH$LINK: CAS 69-65-8 CH$LINK: CHEMSPIDER 6015 CH$LINK: KEGG C00392 CH$LINK: KNAPSACK C00001165 CH$LINK: PUBCHEM CID:6251 CH$LINK: INCHIKEY FBPFZTCFMRRESA-KVTDHHQDSA-N CH$LINK: COMPTOX DTXSID1023235
AC$INSTRUMENT: UPLC 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: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$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 181.07123 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0089-6900000000-061f88989a6ac71321e3 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 59.0155 33.68 160 71.0150 118.9 563 73.0307 18.58 88 85.0297 22.88 108 89.0247 55.43 263 101.0247 99.26 470 113.0245 12.66 60 119.0359 16.47 78 163.0605 26.29 125 181.0712 210.9 999 //