Dataset

Karakoline; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81516 contains the MS mass spectrum of Karakoline with the InChIkey HKQZUYOVMYOFIT-VHNBHZRZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1
SMILES CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)C
InChI Key HKQZUYOVMYOFIT-VHNBHZRZSA-N
Molecular Formula C22H35NO4
Exact Mass 377.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81516
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C08693 KEGG Ligand
    6113 ChEBI
    MTBLC6113 Metabolights
    CB3986952 ChemicalBook
    441742 PubChem
    39089-30-0 ACToR
    The data in this table is sourced from UniChem at EBI.