MassBank Record: BS003499



 5,7-Dihydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003499
RECORD_TITLE: 5,7-Dihydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:30 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$NAME: 5,7-Dihydroxy-2'-methoxyflavone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C16H12O5 CH$EXACT_MASS: 284.0685 CH$SMILES: C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3OC)O)O CH$IUPAC: InChI=1S/C16H12O5/c1-20-13-5-3-2-4-10(13)14-8-12(19)16-11(18)6-9(17)7-15(16)21-14/h2-8,17-18H,1H3 CH$LINK: INCHIKEY SWYVZKGICYEZDR-UHFFFAOYSA-N CH$LINK: CAS 10458-35-2
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5 AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.014 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8827-1505.23 AC$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$CHROMATOGRAPHY: RETENTION_TIME 871.2 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 283.0613 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-014i-0090000000-98dac3d8e56649f21315 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 122.0009 102 102 123.0047 7 7 133.0298 5 5 135.0082 13 13 148.0163 10 10 149.9956 28 28 151.0005 4 4 171.0472 5 5 172.0515 5 5 185.0236 4 4 195.0484 5 5 196.0536 89 89 197.0572 16 16 199.0427 4 4 211.0409 14 14 212.0472 7 7 223.0387 10 10 224.0490 18 18 225.0175 4 4 227.0347 9 9 239.0360 74 74 240.0437 625 625 241.0466 81 81 242.0504 10 10 249.0217 7 7 250.0264 4 4 251.0359 13 13 267.0304 459 459 268.0382 999 999 269.0411 117 117 270.0449 15 15 283.0613 231 231 284.0640 34 34 285.0665 4 4 //

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