MassBank Record: TY000081



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

ACCESSION: TY000081
RECORD_TITLE: Curcumin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (2008.12.13, 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Curcumin CH$NAME: Curcuma CH$NAME: (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione CH$COMPOUND_CLASS: Natural Product; Diarylheptanoid CH$FORMULA: C21H20O6 CH$EXACT_MASS: 368.125988 CH$SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O CH$IUPAC: InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ CH$LINK: CAS 458-37-7 CH$LINK: CHEMSPIDER 839564 CH$LINK: COMPTOX DTXSID8031077 CH$LINK: INCHIKEY VFLDPWHFBUODDF-FCXRPNKRSA-N CH$LINK: NIKKAJI J5.762B CH$LINK: PUBCHEM CID:969516
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$CHROMATOGRAPHY: RETENTION_TIME 1324.600 AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$SPLASH: splash10-014i-0009200000-3e33efd2452a1862bc12 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 245.0795 1509929 72 369.1323 20808663 999 370.1356 4964127 238 391.1123 5987257 287 392.1195 1504910 72 407.0862 7680122 369 408.0902 1857400 89 759.2337 1781685 86 //

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