MassBank Record: BS003017



 6-Hydroxyflavone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003017
RECORD_TITLE: 6-Hydroxyflavone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
DATE: 2017.12.01 (2013.08.01)
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$NAME: 6-Hydroxyflavone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C15H10O3 CH$EXACT_MASS: 238.0630 CH$SMILES: C1(=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(O2)C(=C(C(=C3[H])O[H])[H])[H])[H])[H])[H])[H] CH$IUPAC: InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H CH$LINK: INCHIKEY GPZYYYGYCRFPBU-UHFFFAOYSA-N CH$LINK: CAS 6665-83-4 CH$LINK: COMPTOX DTXSID8022327
AC$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 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.025 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8811-3005.48 AC$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$CHROMATOGRAPHY: RETENTION_TIME 749.932 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 237.0603 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0006-0930000000-9a5e9a8c9af42c465df1 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 95.016 14 14 101.042 280 280 102.045 29 29 107.016 71 71 108.022 13 13 125.027 29 29 127.059 46 46 135.012 49 49 152.066 25 25 153.074 72 72 154.080 12 12 160.019 32 32 165.075 164 164 166.078 27 27 167.053 19 19 171.084 17 17 180.062 146 146 181.069 121 121 182.072 24 24 193.070 999 999 194.073 93 93 195.051 20 20 197.061 18 18 207.048 13 13 208.057 321 321 209.064 171 171 210.068 21 21 235.045 66 66 236.052 82 82 237.060 119 119 238.063 18 18 //

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