MassBank Record: JP001120



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

ACCESSION: JP001120
RECORD_TITLE: 7-BENZOYLNEOBAVAISOFLAVONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 7-BENZOYLNEOBAVAISOFLAVONE CH$NAME: 7-BENZOYLOXY-4'-HYDROXY-3'-(3-METHYL-2-BUTENYL)ISOFLAVONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H22O5 CH$EXACT_MASS: 426.14672 CH$SMILES: c(c(CC=C(C)C)1)c(C(=C4)C(c(c2)c(O4)cc(OC(=O)c(c3)cccc3)c2)=O)ccc1O CH$IUPAC: InChI=1S/C27H22O5/c1-17(2)8-9-20-14-19(10-13-24(20)28)23-16-31-25-15-21(11-12-22(25)26(23)29)32-27(30)18-6-4-3-5-7-18/h3-8,10-16,28H,9H2,1-2H3
AC$INSTRUMENT: HITACHI RMS-4 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-3900000000-8122e77fcfe721009150 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 51 2.7 27 70 6.7 67 77 50.6 506 95 2.4 24 105 99.99 999 106 10.6 106 133 44.3 443 321 0.8 8 371 0.8 8 425 3.1 31 426 1 10 //