MassBank Record: BS003811



 2'-Hydroxy-4'-methoxychalcone; LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003811
RECORD_TITLE: 2'-Hydroxy-4'-methoxychalcone; LC-ESI-QTOF; MS
DATE: 2017.12.01 (2014.01.08)
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$NAME: 2'-Hydroxy-4'-methoxychalcone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C16H14O3 CH$EXACT_MASS: 254.0943 CH$SMILES: C(OC1=C(C(=C(C(=C1[H])[H])C(=O)/C(=C(/C2=C(C(=C(C(=C2[H])[H])[H])[H])[H])\[H])/[H])O[H])[H])([H])([H])[H] CH$IUPAC: InChI=1S/C16H14O3/c1-19-13-8-9-14(16(18)11-13)15(17)10-7-12-5-3-2-4-6-12/h2-11,18H,1H3/b10-7+ CH$LINK: INCHIKEY GUNGQVJAKLIYDG-JXMROGBWSA-N CH$LINK: CAS 52923-29-2
AC$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$MASS_SPECTROMETRY: PEAK_WIDTH 0.017 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8812-1505.22 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 1254.6 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0udi-0292000000-8f64661e413f7044e4a6 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 112.9853 167 167 116.9282 81 81 128.0093 52 52 144.9229 39 39 174.9557 64 64 180.9721 67 67 195.9968 45 45 232.9866 26 26 235.9258 59 59 242.9429 138 138 248.9599 253 253 253.0869 999 999 254.0902 140 140 300.9734 23 23 304.9129 24 24 310.9299 67 67 316.9470 131 131 328.9037 22 22 353.9535 32 32 378.9168 69 69 384.9347 58 58 396.8909 24 24 446.9057 35 35 452.9234 37 37 514.8937 26 26 520.9116 26 26 582.8785 26 26 //

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