MassBank Record: RP023511



 D(-)-Fructose; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP023511
RECORD_TITLE: D(-)-Fructose; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
DATE: 2017.11.29
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 235

CH$NAME: D(-)-Fructose CH$NAME: beta-D-Fructose CH$NAME: (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C6H12O6 CH$EXACT_MASS: 180.0634 CH$SMILES: O[C@H]1[C@H](O)[C@H](O[C@]1(O)CO)CO CH$IUPAC: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 CH$LINK: CAS 57-48-7 CH$LINK: CHEBI 28645 CH$LINK: KEGG C02336 CH$LINK: PUBCHEM CID:439709 CH$LINK: INCHIKEY RFSUNEUAIZKAJO-ARQDHWQXSA-N CH$LINK: CHEMSPIDER 388775
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$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: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 0.602 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 179.0564 MS$FOCUSED_ION: PRECURSOR_M/Z 179.0561 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-000i-9000000000-f40ae4502b6a2e3ac882 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 89.0253 782 999 113.0241 38 48 //