MassBank Record: BS003590



 8-Hydroxy-5-methoxyflavanone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003590
RECORD_TITLE: 8-Hydroxy-5-methoxyflavanone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
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$NAME: 8-Hydroxy-5-methoxyflavanone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C16H14O4 CH$EXACT_MASS: 270.0892 CH$SMILES: C1=CC(OC)=C2C(=C1O)OC(CC2=O)C3=CC=CC=C3 CH$IUPAC: InChI=1S/C16H14O4/c1-19-13-8-7-11(17)16-15(13)12(18)9-14(20-16)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3 CH$LINK: INCHIKEY QKKLESZITVHFQP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:133052632
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5 AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.016 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8818-1505.22 AC$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$CHROMATOGRAPHY: RETENTION_TIME 576 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 269.0838 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0udj-0490000000-a6a6794b2371f156eb32 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 149.9960 868 868 150.9993 44 44 152.0002 23 23 209.0611 47 47 210.0681 322 322 211.0712 49 49 225.0918 35 35 226.0639 26 26 237.0553 170 170 238.0580 44 44 239.0708 55 55 253.0519 23 23 254.0580 999 999 255.0619 135 135 269.0838 51 51 //

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