MassBank Record: JP000651



 4',6,7-TRIMETHOXYFLAVONOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000651
RECORD_TITLE: 4',6,7-TRIMETHOXYFLAVONOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4',6,7-TRIMETHOXYFLAVONOL CH$NAME: 3-HYDROXY-6,7-DIMETHOXY-2-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H16O6 CH$EXACT_MASS: 328.09469 CH$SMILES: COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(OC)c(OC)2)1 CH$IUPAC: InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)12-8-14(22-2)15(23-3)9-13(12)24-18/h4-9,20H,1-3H3
AC$INSTRUMENT: JEOL JMS-06-H AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-3309000000-152551b7aa763e746803 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 50 3.2 32 51 5.7 57 53 3.4 34 63 0.4 4 64 2.7 27 65 2.4 24 69 7.7 77 76 0.39 4 77 17.3 173 78 2.2 22 79 4.7 47 92 1.02 10 93 3.9 39 105 3.1 31 107 3.7 37 119 0.23 2 121 5.2 52 135 29.4 294 137 2.5 25 164 0.45 5 285 4.9 49 313 12.8 128 327 2.4 24 328 99.99 999 329 16 160 //