MassBank Record: BS003101



 5-Hydroxyflavone; LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003101
RECORD_TITLE: 5-Hydroxyflavone; LC-ESI-QTOF; MS
DATE: 2017.12.01 (2013.08.03)
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$NAME: 5-Hydroxyflavone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C15H10O3 CH$EXACT_MASS: 238.0630 CH$SMILES: C1(=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])[H])[H])[H])[H])[H])[H])[H] CH$IUPAC: InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H CH$LINK: INCHIKEY IYBLVRRCNVHZQJ-UHFFFAOYSA-N CH$LINK: CAS 491-78-1 CH$LINK: COMPTOX DTXSID90197690
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.025 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8746-3005.27 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 1089 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-000i-0091300000-17f56b4a47fb7d35624e PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 112.987 33 33 146.962 15 15 174.955 43 43 237.057 999 999 238.060 147 147 239.062 13 13 242.944 33 33 265.150 12 12 305.044 75 75 306.048 15 15 310.931 13 13 316.947 18 18 325.991 18 18 342.979 15 15 367.014 40 40 368.014 16 16 378.922 15 15 382.988 15 15 431.959 13 13 481.128 37 37 482.135 12 12 497.102 312 312 498.106 82 82 499.109 29 29 559.073 22 22 560.075 12 12 751.128 67 67 752.132 40 40 757.144 21 21 819.113 13 13 1011.177 18 18 //

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