MassBank Record: JP001121



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

ACCESSION: JP001121
RECORD_TITLE: ISONEOBAVAISOFLAVONE; 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$NAME: ISONEOBAVAISOFLAVONE CH$NAME: 2',3'-DIHYDRO-7-HYDROXY-2',2'-DIMETHYL-3,6'-BI(4H-1-BENZOPYRAN)-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H18O4 CH$EXACT_MASS: 322.12051 CH$SMILES: Oc(c4)cc(O3)c(c4)C(=O)C(=C([H])3)c(c2)cc(C1)c(c2)OC(C)(C)C1 CH$IUPAC: InChI=1S/C20H18O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-6,9-11,21H,7-8H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-7L 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: splash10-00xr-0279000000-71d6025bffb3860e644e PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 63 1.1 11 77 1.7 17 95 0.8 8 131 6.7 67 137 31.7 317 146 1.1 11 237 18.3 183 238 3.3 33 239 1.7 17 266 6.7 67 267 56.7 567 268 11.1 111 279 7.2 72 293 10.1 101 305 2.8 28 307 11.1 111 321 2.8 28 322 99.99 999 323 15 150 //