Dataset

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

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011521 contains the MS mass spectrum of 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 with the InChIkey SONLXENHRKIRAI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI 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
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
InChI Key SONLXENHRKIRAI-UHFFFAOYSA-N
Molecular Formula C27H20O4
Exact Mass 408.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP011521
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • hexacyclo[12.12.1.03,12.05,10.016,25.018,23]heptacosa-3(12),5,7,9,16,18(23),20,24-octaene-4,11,19,22-tetrone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J581.306I Nikkaji
    15701029 PubChem
    The data in this table is sourced from UniChem at EBI.