MassBank Record: BS003027



 Naringenin; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003027
RECORD_TITLE: Naringenin; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
DATE: 2017.12.01 (2013.07.27)
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$NAME: Naringenin CH$NAME: 4',5,7-Trihydroxyflavanone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C15H12O5 CH$EXACT_MASS: 272.0685 CH$SMILES: C1([C@]([H])(OC2=C(C(=C(C(=C2C1=O)O[H])[H])O[H])[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])([H])[H] CH$IUPAC: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: CAS 480-41-1 CH$LINK: COMPTOX DTXSID1022392
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.024 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8827-3005.18 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 554.4 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 271.065 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0gb9-0900000000-5295f7ce31d20a80235c PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 107.014 257 257 119.051 999 999 120.055 50 50 145.031 23 23 151.005 746 746 152.007 41 41 161.062 26 26 165.021 49 49 169.015 21 21 177.021 36 36 187.043 26 26 227.073 21 21 271.065 72 72 //

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