Dataset

9-KODE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000274 contains the MS2 mass spectrum of 9-KODE with the InChIkey LUZSWWYKKLTDHU-SIGMCMEVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+
SMILES CCCCCC=CC=CC(=O)CCCCCCCC(O)=O
InChI Key LUZSWWYKKLTDHU-SIGMCMEVSA-N
Molecular Formula C18H30O3
Exact Mass 294.219 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-Chubu_Univ-UT000274
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:43.041258
MetadataModified 2024-01-11T12:48:43.189374
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL465240 ChEMBL
J834.677A Nikkaji
J767.169E Nikkaji
ZINC000005523704 ZINC
LMFA02000251 LipidMaps
60058219 NMRShiftDB
PD018777 ProbesDrugs
14873516 PubChem: Thomson Pharma
72843 ChEBI
54665-32-6 ACToR
5283011 PubChem
SCHEMBL1234585 SureChEMBL
MTBLC72843 Metabolights
The data in this table is sourced from UniChem at EBI.