MassBank Record: JP001122



 7-BENZYLOXY-2',3'-DIHYDRO-2',2'-DIMETHYL-O,6'-BI(4H-1-BENZOPYRAN)-4-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001122
RECORD_TITLE: 7-BENZYLOXY-2',3'-DIHYDRO-2',2'-DIMETHYL-O,6'-BI(4H-1-BENZOPYRAN)-4-ONE; 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$NAME: 7-BENZYLOXY-2',3'-DIHYDRO-2',2'-DIMETHYL-O,6'-BI(4H-1-BENZOPYRAN)-4-ONE CH$NAME: 7-BENZYLOXYISONEOBAVAISOFLAVONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H24O4 CH$EXACT_MASS: 412.16746 CH$SMILES: c(c23)cc(cc(OC=C(c(c4)cc(O5)c(CCC5(C)C)c4)C3=O)2)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C27H24O4/c1-27(2)13-12-19-8-9-20(14-24(19)31-27)23-17-30-25-15-21(10-11-22(25)26(23)28)29-16-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3
AC$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: splash10-01ox-9112400000-ef581d6354699d377bb8 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 51 1.2 12 55 1.7 17 63 2.9 29 65 8.3 83 69 2.9 29 77 2.1 21 79 1.2 12 89 1.2 12 91 99.99 999 92 9.9 99 102 1 10 103 1 10 107 1.7 17 115 2.5 25 119 1.7 17 131 2.5 25 137 1.7 17 149 1.7 17 151 1.2 12 152 3.3 33 153 1.7 17 165 1.2 12 181 1.2 12 209 1.7 17 210 1.2 12 227 1.2 12 237 2.5 25 238 2.3 23 253 2.9 29 265 4.1 41 266 5.8 58 267 2.1 21 279 1.7 17 321 6.6 66 322 2.1 21 356 2.1 21 357 10.4 104 358 3.3 33 369 2.9 29 383 5 50 384 1.7 17 395 2.5 25 397 3.3 33 411 2.5 25 412 43.5 435 413 15.7 157 414 2.5 25 //