MassBank Record: TY000079



 Bisdemethoxycurcumin; LC-ESI-ITTOF; MS; [M+H]+ 
Mass Spectrum
Chemical Structure


ACCESSION: TY000079
RECORD_TITLE: Bisdemethoxycurcumin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2011.05.06 (Created 2008.12.13)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Bisdemethoxycurcumin CH$NAME: 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-, (1E,6E)- CH$NAME: 1,6-Heptadiene-3,5-dione, 1,7-bis(p-hydroxyphenyl)-, (E,E)- CH$NAME: (1E,6E)-1,7-Bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione CH$NAME: Bisdesmethoxycurcumin CH$NAME: Curcumin III CH$NAME: Didemethoxycurcumin CH$COMPOUND_CLASS: Natural Product; Diarylheptanoid CH$FORMULA: C19H16O4 CH$EXACT_MASS: 308.10486 CH$SMILES: Oc(c1)ccc(C=CC(=O)CC(=O)C=Cc(c2)ccc(O)c2)c1 CH$IUPAC: InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+ CH$LINK: CAS 33171-05-0 CH$LINK: NIKKAJI J468.370F CH$LINK: PUBCHEM CID:5315472
AC$INSTRUMENT: Shimadzu LC20A-IT-TOFMS AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV AC$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 1278.200 AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 309.1127 54308890 999 310.1166 12605977 232 //