MassBank Record: BS003104



 2,4-Dihydroxyacetophenone; 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: BS003104
RECORD_TITLE: 2,4-Dihydroxyacetophenone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
DATE: 2017.12.01 (2013.09.05)
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$NAME: 2,4-Dihydroxyacetophenone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C8H8O3 CH$EXACT_MASS: 152.0473 CH$SMILES: C(C(=O)C1=C(C(=C(C(=C1[H])[H])O[H])[H])O[H])([H])([H])[H] CH$IUPAC: InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 CH$LINK: INCHIKEY SULYEHHGGXARJS-UHFFFAOYSA-N CH$LINK: CAS 89-84-9 CH$LINK: COMPTOX DTXSID4058998
AC$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$MASS_SPECTROMETRY: PEAK_WIDTH 0.032 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8776-3005.38 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 298.8 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 151.044 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0a4i-0900000000-637e6febb080916d6386 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 107.053 367 367 108.025 106 106 109.032 999 999 110.035 58 58 133.033 67 67 135.012 539 539 136.018 59 59 151.044 530 530 152.047 58 58 153.026 124 124 //

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