ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011522
RECORD_TITLE: 5,9,14,18-TETRAOXO-5,6,7,8,9,14,15,16,17,18-DECAHYDRO-7,16-METHANODINAPHTHO(2,3-A:2'3'-F)CYCLODECENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5,9,14,18-TETRAOXO-5,6,7,8,9,14,15,16,17,18-DECAHYDRO-7,16-METHANODINAPHTHO(2,3-A:2'3'-F)CYCLODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₂₀O₄
CH$EXACT_MASS: 408.13616
CH$SMILES: c(c21)cccc(c(c(C6)c(CC(C5)Cc(c3=O)c(CC56)c(c(c4)c(ccc4)3)=O)c2=O)=O)1
CH$IUPAC: InChI=1S/C27H20O4/c28-24-16-5-1-2-6-17(16)25(29)21-11-15-9-14(10-20(21)24)12-22-23(13-15)27(31)19-8-4-3-7-18(19)26(22)30/h1-8,14-15H,9-13H2
CH$LINK: INCHIKEY PWLSXGIFKGNTGP-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-0340900000-be77a6efe162cabae586
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  76 5.7 57
  77 8 80
  105 8.3 83
  152 6.5 65
  165 8.3 83
  181 7.3 73
  186 5.2 52
  187 5.6 56
  197 5.1 51
  198 5.5 55
  209 6.6 66
  210 10.3 103
  211 7.3 73
  222 6.3 63
  223 9.9 99
  224 22 220
  236 5.1 51
  408 99.99 999
  409 29 290
  410 6.7 67
  411 1.3 13
  424 1.8 18
//