ACCESSION: MSBNK-Univ_Toyama-TY000096
RECORD_TITLE: Bisdemethoxycurcumin; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2009.05.18, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Bisdemethoxycurcumin
CH$NAME: (1E,6E)-1,7-Bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
CH$NAME: Didemethoxycurcumin
CH$COMPOUND_CLASS: Natural Product; Diarylheptanoid
CH$FORMULA: C₁₉H₁₆O₄
CH$EXACT_MASS: 308.10486
CH$SMILES: C1=CC(=CC=C1/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
CH$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: COMPTOX DTXSID00872663
CH$LINK: INCHIKEY PREBVFJICNPEKM-YDWXAUTNSA-N
CH$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 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 100-2000
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$CHROMATOGRAPHY: RETENTION_TIME 1261.200 sec
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: ION_TYPE [M-H]-

PK$SPLASH: splash10-0a4i-0009000000-c9e4fa5e0de5b0c0d892
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
307.0971 110316712 999
308.0987 27642674 250
//