MassBank Record: TY000085



 Honokiol; LC-ESI-ITTOF; MS; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000085
RECORD_TITLE: Honokiol; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (2008.12.13, 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Honokiol CH$NAME: [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propen-1-yl- CH$NAME: [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propenyl- CH$NAME: 3',5-Diallyl-2,4'-biphenyldiol CH$NAME: NSC 293100 CH$COMPOUND_CLASS: Natural Product; Neolignan CH$FORMULA: C18H18O2 CH$EXACT_MASS: 266.13068 CH$SMILES: C=CCc(c2)cc(c(O)c2)c(c1)cc(CC=C)c(O)c1 CH$IUPAC: InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2 CH$LINK: CAS 35354-74-6 CH$LINK: NIKKAJI J138.358B CH$LINK: PUBCHEM CID:72303 CH$LINK: INCHIKEY FVYXIJYOAGAUQK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30188845
AC$INSTRUMENT: Shimadzu LC20A-IT-TOFMS AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan AC$MASS_SPECTROMETRY: SCANNING_RANGE 100-1500 AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 1430.970 AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-014i-0090020000-869d4334a9c7e1d6aaf8 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 265.1237 859833882 999 266.1265 165389964 192 531.2535 201961829 235 532.2579 73236971 85 //

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