MassBank Record: BS003084



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

ACCESSION: BS003084
RECORD_TITLE: 6-Prenylnaringenin; LC-ESI-QTOF; MS
DATE: 2017.12.01 (2013.07.03)
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$NAME: 6-Prenylnaringenin CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C20H20O5 CH$EXACT_MASS: 340.1311 CH$SMILES: C(C(=C(C(C1=C(C(=C2C(=C1O[H])C(=O)C([C@]([H])(O2)C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])([H])[H])[H])O[H])([H])[H])[H])C([H])([H])[H])([H])([H])[H] CH$IUPAC: InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3 CH$LINK: INCHIKEY YHWNASRGLKJRJJ-UHFFFAOYSA-N CH$LINK: CAS 68236-13-5
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 0.0062 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-3000 AC$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$CHROMATOGRAPHY: RETENTION_TIME 1120.8 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-000i-0009000000-164e1d0d81349264196b PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 218.9821 2 2 219.0661 9 9 245.0813 3 3 313.0719 6 6 339.1242 999 999 340.1276 233 233 341.1295 34 34 342.1323 4 4 342.9798 1 1 361.1043 2 2 407.1106 7 7 451.1378 2 2 469.0824 2 2 679.2549 3 3 701.2372 4 4 702.2402 2 2 //

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