MassBank Record: BS003816



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

ACCESSION: BS003816
RECORD_TITLE: 2'-Hydroxy-4-methoxychalcone; LC-ESI-QTOF; MS
DATE: 2017.12.01 (2014.01.07)
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(=C(/C(=O)C2=C(C(=C(C(=C2O[H])[H])[H])[H])[H])\[H])/[H])[H])[H])([H])([H])[H] CH$IUPAC: InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+ CH$LINK: INCHIKEY NXBNYUSXDBHELA-DHZHZOJOSA-N CH$LINK: CAS 34000-29-8
AC$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$MASS_SPECTROMETRY: PEAK_WIDTH 0.018 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8801-1505.26 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 1221 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0udi-0291000000-0f1bb7a4b05ecc00f54d PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 112.9861 125 125 116.9291 80 80 128.0105 50 50 174.9563 54 54 180.9733 55 55 235.9270 51 51 242.9439 107 107 248.9607 214 214 253.0870 999 999 254.0901 146 146 310.9318 61 61 316.9485 119 119 378.9192 58 58 384.9362 47 47 //