MassBank Record: BS003582



 3',4'-Dimethoxy-7-hydroxyflavanone; LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003582
RECORD_TITLE: 3',4'-Dimethoxy-7-hydroxyflavanone; LC-ESI-QTOF; MS
DATE: 2017.12.01 (2013.11.24)
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$NAME: 3',4'-Dimethoxy-7-hydroxyflavanone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C17H14O5 CH$EXACT_MASS: 298.0841 CH$SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)OC CH$IUPAC: InChI=1S/C17H14O5/c1-20-14-6-3-10(7-17(14)21-2)15-9-13(19)12-5-4-11(18)8-16(12)22-15/h3-9,18H,1-2H3 CH$LINK: INCHIKEY MEDOAKSPIIOKFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5378518 CH$LINK: COMPTOX DTXSID50187153
AC$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$MASS_SPECTROMETRY: PEAK_WIDTH 0.012 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.882-1505.22 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 744 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-03di-0009003000-6f9af8876fad5aa91e76 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 116.9281 3 3 311.0917 999 999 312.0951 145 145 313.0970 14 14 347.0675 5 5 379.0794 16 16 380.0818 3 3 623.1932 300 300 624.1965 97 97 625.1991 19 19 626.2021 3 3 935.2916 18 18 936.2946 9 9 //

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