MassBank Record: BS003589



 8-Hydroxy-5-methoxyflavanone; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003589
RECORD_TITLE: 8-Hydroxy-5-methoxyflavanone; LC-ESI-QTOF; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5 AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.015 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 269.0817 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0gb9-0090000000-0d89d853a16369dac62f PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 149.9957 18 18 210.0687 55 55 211.0736 10 10 225.0921 263 263 226.0952 39 39 237.0556 151 151 238.0603 39 39 239.0709 51 51 240.0731 8 8 254.0580 708 708 255.0619 82 82 256.0673 13 13 269.0453 8 8 269.0817 999 999 270.0851 93 93 271.0875 15 15 //

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