MassBank Record: BS003020



 7-Hydroxyflavone; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003020
RECORD_TITLE: 7-Hydroxyflavone; LC-ESI-QTOF; MS2; CE:40 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$NAME: 7-Hydroxyflavone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C15H10O3 CH$EXACT_MASS: 238.0630 CH$SMILES: C1(=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(O2)C(=C(C(=C3[H])[H])O[H])[H])[H])[H])[H])[H] CH$IUPAC: InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H CH$LINK: INCHIKEY MQGPSCMMNJKMHQ-UHFFFAOYSA-N CH$LINK: CAS 6665-86-7 CH$LINK: COMPTOX DTXSID3022328
AC$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 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.026 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8802-3005.45 AC$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$CHROMATOGRAPHY: RETENTION_TIME 674.776 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 237.0601 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-05n3-0930000000-35889f86ba649049bfcf PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 101.042 299 299 103.020 122 122 104.030 212 212 115.021 89 89 115.058 150 150 117.036 253 253 132.024 232 232 135.010 546 546 139.059 174 174 143.053 376 376 144.058 67 67 145.032 65 65 152.064 116 116 153.021 86 86 153.073 131 131 160.018 70 70 165.074 422 422 166.078 74 74 167.054 607 607 168.055 74 74 169.032 68 68 180.062 657 657 181.068 221 221 193.069 533 533 194.071 85 85 195.051 63 63 208.058 998 998 209.063 224 224 236.053 89 89 237.060 999 999 238.062 127 127 //

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