MassBank Record: BS003082



 6,8-Diprenylnaringenin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003082
RECORD_TITLE: 6,8-Diprenylnaringenin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
DATE: 2017.12.01 (2014.01.10)
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$NAME: 6,8-Diprenylnaringenin CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C25H28O5 CH$EXACT_MASS: 408.1937 CH$SMILES: O=C1C=2C(O[C@]([H])(C=3C(=C(C(O[H])=C(C3[H])[H])[H])[H])C1([H])[H])=C(C(O[H])=C(C2O[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H] CH$IUPAC: InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1 CH$LINK: INCHIKEY HCNLDGTUMBOHKT-NRFANRHFSA-N CH$LINK: CAS 68236-11-3 CH$LINK: COMPTOX DTXSID20218408
AC$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 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5 AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.016 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8803-1505.2 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 1440.6 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 407.2 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-014i-0950000000-f783637c2d4dd348fc94 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 119.0501 999 999 120.0522 112 112 133.0677 97 97 219.1361 56 56 229.0665 75 75 243.1353 122 122 245.0898 58 58 259.1318 59 59 287.1266 282 282 288.1317 56 56 301.1434 59 59 //

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