MassBank Record: BS003575



 6-Hydroxyflavanone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003575
RECORD_TITLE: 6-Hydroxyflavanone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
DATE: 2017.12.01 (2013.11.23)
AUTHORS: , Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA 4.0 International

CH$NAME: 6-Hydroxyflavanone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C15H12O3 CH$EXACT_MASS: 240.0786 CH$SMILES: C1(C(OC2=C(C1=O)C(=C(C(=C2[H])[H])O[H])[H])(C3=C(C(=C(C(=C3[H])[H])[H])[H])[H])[H])([H])[H] CH$IUPAC: InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2 CH$LINK: INCHIKEY XYHWPQUEOOBIOW-UHFFFAOYSA-N CH$LINK: CAS 4250-77-5 CH$LINK: COMPTOX DTXSID1022429
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5 AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.01 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8816-1505.21 AC$CHROMATOGRAPHY: COLUMN_NAME Waters Acquity BEH C18 1.7um x 2.1 x 150 mm AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 20/80 at 35 min; 5/95 at 35 min, 5/95 at 38 min; 95/5 at 38.1 min, 95/5 at 45 min AC$CHROMATOGRAPHY: FLOW_RATE FLOW_RATE 560 uL / min AC$CHROMATOGRAPHY: SOLVENT A water with 0.05% formic acid AC$CHROMATOGRAPHY: SOLVENT B acetonitrile with 0.05 % formic acid AC$CHROMATOGRAPHY: RETENTION_TIME 781.2 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 239.0693 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-052r-0940000000-488248e76f811da01239 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 107.0129 307 307 108.0215 999 999 109.0248 139 139 135.0081 741 741 136.0126 121 121 195.0813 207 207 197.0581 124 124 211.0735 173 173 221.0577 178 178 239.0693 710 710 240.0747 116 116 //

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