MassBank Record: BS003496



 5,7-Dihydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003496
RECORD_TITLE: 5,7-Dihydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS
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$NAME: 5,7-Dihydroxy-2'-methoxyflavone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C16H12O5 CH$EXACT_MASS: 284.0685 CH$SMILES: C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3OC)O)O CH$IUPAC: InChI=1S/C16H12O5/c1-20-13-5-3-2-4-10(13)14-8-12(19)16-11(18)6-9(17)7-15(16)21-14/h2-8,17-18H,1H3 CH$LINK: INCHIKEY SWYVZKGICYEZDR-UHFFFAOYSA-N CH$LINK: CAS 10458-35-2
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 0.014 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8827-1505.23 AC$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$CHROMATOGRAPHY: RETENTION_TIME 871.2 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-001i-0090000000-19f61378a59c83cefe8c PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 174.9566 1 1 242.9446 1 1 253.0520 17 17 254.0549 2 2 268.0376 2 2 283.0362 1 1 283.0623 999 999 284.0652 174 174 285.0670 18 18 286.0699 2 2 319.0378 5 5 321.0365 2 2 351.0484 9 9 352.0501 2 2 413.0168 1 1 567.1326 34 34 568.1347 9 9 569.1375 2 2 589.1135 1 1 //

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