ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C20H18O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-6,9-11,21H,7-8H2,1-2H3
CH$LINK: INCHIKEY XYQGRDVFZGPOQG-UHFFFAOYSA-N

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
//