MassBank Record: BS003591



 8-Hydroxy-5-methoxyflavanone; LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003591
RECORD_TITLE: 8-Hydroxy-5-methoxyflavanone; 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$NAME: 8-Hydroxy-5-methoxyflavanone CH$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$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.014 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8818-1505.22 AC$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$CHROMATOGRAPHY: RETENTION_TIME 576 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-014i-0090000000-6b1d79a62327427dc645 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 210.0687 5 5 225.0918 31 31 226.0945 5 5 237.0551 11 11 238.0601 3 3 239.0704 4 4 254.0582 30 30 255.0611 5 5 269.0823 999 999 270.0853 124 124 271.0877 12 12 337.0691 4 4 539.1730 13 13 540.1756 4 4 561.1558 22 22 562.1576 7 7 1132.2657 25 25 1133.2693 19 19 1134.2715 6 6 //

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