MassBank Record: PB005741



 Rotenone; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005741
RECORD_TITLE: Rotenone; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.18, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2241
COMMENT: CONFIDENCE: confident structure

CH$NAME: Rotenone CH$NAME: (2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo(2,3-h)chromen-6-one CH$COMPOUND_CLASS: Natural Product; Flavonoids CH$FORMULA: C23H22O6 CH$EXACT_MASS: 394.14164 CH$SMILES: CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC CH$IUPAC: InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 CH$LINK: INCHIKEY JUVIOZPCNVVQFO-HBGVWJBISA-N CH$LINK: PUBCHEM CID:6758
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0009000000-358453a180ad1eac44bb PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 167.068 20.040 1 179.067 10.020 0 189.088 10.020 0 192.075 70.140 6 193.080 10.020 0 203.067 50.100 4 213.087 210.421 20 214.091 20.040 1 241.081 130.261 12 242.085 10.020 0 367.148 140.281 13 368.150 30.060 2 377.130 10.020 0 394.809 10.020 0 394.888 10.020 0 395.142 10000.000 999 395.550 10.020 0 396.146 1903.808 189 397.149 80.160 7 //