MassBank Record: TY000243



 Bisdemethoxycurcumin; LC-ESI-ITTOF; MS2; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000243
RECORD_TITLE: Bisdemethoxycurcumin; LC-ESI-ITTOF; MS2; [M-H]-
DATE: 2016.01.19 (Created 2010.10.22, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Bisdemethoxycurcumin CH$NAME: Didemethoxycurcumin CH$NAME: (1E,6E)-1,7-Bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione CH$NAME: (E,E)-1,7-Bis(p-hydroxyphenyl)-1,6-heptadiene-3,5-dione CH$NAME: Bisdesmethoxycurcumin CH$NAME: Curcumin III 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
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000) AC$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 20.988700 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 143.050600 MS$FOCUSED_ION: PRECURSOR_M/Z 307.093500
PK$SPLASH: splash10-000f-0900000000-b6262ce6a5bc848338cc PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 115.058600 17237.000000 20 117.035700 21106.000000 24 118.914400 8364.000000 10 119.050700 160082.000000 185 120.059400 13917.000000 16 142.786400 8289.000000 10 143.050600 866542.000000 999 143.165600 14314.000000 17 143.292100 18236.000000 21 143.430200 10663.000000 12 144.052300 132396.000000 153 145.034300 139482.000000 161 146.031300 9151.000000 11 163.035300 10771.000000 12 187.036600 601810.000000 694 187.168000 11106.000000 13 187.286400 13178.000000 15 187.457300 7997.000000 9 188.049900 71569.000000 83 //