MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011522
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
//