MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011521
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011521
RECORD_TITLE: 1,4,9,14-TETRAOXO-1,4,6,7,8,9,14,15,16,17-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$NAME: 1,4,9,14-TETRAOXO-1,4,6,7,8,9,14,15,16,17-DECAHYDRO-7,16-METHANODINAPHTHO(2,3-A:2',3'-F)CYCLODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H20O4
CH$EXACT_MASS: 408.13616
CH$SMILES: c(c21)cccc(c(c(C6)c(CC(C5)Cc(c3)c(CC56)cc(c4=O)c3c(c(c4[H])[H])=O)c2=O)=O)1
CH$IUPAC: InChI=1S/C27H20O4/c28-24-5-6-25(29)21-13-17-9-15-7-14(8-16(17)12-20(21)24)10-22-23(11-15)27(31)19-4-2-1-3-18(19)26(22)30/h1-6,12-15H,7-11H2
CH$LINK: INCHIKEY
SONLXENHRKIRAI-UHFFFAOYSA-N
AC$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-0650900000-115a79cbe8dd4052213c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
77 5.6 56
115 6.1 61
128 6.1 61
152 6.9 69
165 7.3 73
181 5.9 59
186 26.7 267
187 10.1 101
195 6.3 63
197 8.2 82
198 9.2 92
210 6 60
211 6.5 65
212 6 60
223 20.6 206
224 38.6 386
225 6.6 66
393 7.6 76
408 99.99 999
409 31 310
410 5.6 56
//