MassBank Record: BS003500



 7,4'-Dimethoxy-5-hydroxyflavanone; 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: BS003500
RECORD_TITLE: 7,4'-Dimethoxy-5-hydroxyflavanone; 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$NAME: 7,4'-Dimethoxy-5-hydroxyflavanone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C17H16O5 CH$EXACT_MASS: 300.0998 CH$SMILES: C1(OC)=CC(=C2C(=C1)OC(CC2=O)C3=CC=C(OC)C=C3)O CH$IUPAC: InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3 CH$LINK: INCHIKEY CKEXCBVNKRHAMX-UHFFFAOYSA-N CH$LINK: CAS 29424-96-2
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 0.014 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8819-1505.2 AC$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$CHROMATOGRAPHY: RETENTION_TIME 1120.2 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 299.0921 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0002-0090000000-5f193ac3a88e0f2d01ec PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 165.0200 125 125 166.0213 18 18 191.0353 23 23 241.0501 41 41 255.0663 24 24 256.0725 46 46 257.0801 18 18 266.0585 16 16 267.0663 12 12 269.0446 80 80 270.0490 14 14 271.0987 19 19 281.0821 25 25 283.0599 94 94 284.0680 282 282 285.0717 49 49 299.0921 999 999 300.0948 128 128 301.0982 25 25 //

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