MassBank Record: BS003531



 5-Hydroxy-3',4'-dimethoxyflavanone; LC-ESI-QTOF; MS; CE:10 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003531
RECORD_TITLE: 5-Hydroxy-3',4'-dimethoxyflavanone; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
DATE: 2017.12.01 (2013.11.21)
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$NAME: 5-Hydroxy-3',4'-dimethoxyflavanone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C17H16O5 CH$EXACT_MASS: 300.0998 CH$SMILES: C1=CC(=C2C(=C1)OC(CC2=O)C3=CC=C(OC)C(OC)=C3)O CH$IUPAC: InChI=1S/C17H16O5/c1-20-13-7-6-10(8-16(13)21-2)15-9-12(19)17-11(18)4-3-5-14(17)22-15/h3-8,15,18H,9H2,1-2H3 CH$LINK: INCHIKEY GREZGBHTSQIMAQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:101834057
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.017 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8784-1505.18 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 974.4 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-006t-0092007001-eb0fe4cc7dcb6579e9a2 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 128.0099 11 11 269.0459 14 14 283.0626 12 12 284.0696 44 44 299.0940 999 999 300.0970 152 152 301.0990 16 16 367.0815 100 100 368.0858 17 17 429.0517 10 10 605.2015 89 89 606.2035 28 28 621.1750 564 564 622.1780 178 178 623.1805 38 38 683.1459 19 19 689.1627 37 37 690.1650 14 14 937.2397 46 46 938.2426 25 25 943.2549 59 59 944.2605 32 32 1259.3212 22 22 1260.3232 16 16 //

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