ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C27H24O4/c1-27(2)13-12-19-8-9-20(14-24(19)31-27)23-17-30-25-15-21(10-11-22(25)26(23)28)29-16-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3
CH$LINK: INCHIKEY NVODLKVRPZHUMH-UHFFFAOYSA-N
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
//
