Dataset

10E, 12Z-Linoleic acid

This MassBank record with Accession MSBNK-BS-BS004006 contains the MS mass spectrum of 10E, 12Z-Linoleic acid with the InChIkey GKJZMAHZJGSBKD-NMMTYZSQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
SMILES CCCCC/C=C\C=C\CCCCCCCCC(=O)O
InChI Key GKJZMAHZJGSBKD-NMMTYZSQSA-N
Molecular Formula C18H32O2
Exact Mass 280.240 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-BS-BS004006
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:20.024922
MetadataModified 2024-01-11T12:36:20.181689
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB04746 DrugBank
CHEMBL1093743 ChEMBL
ODD PDBe
26755276 eMolecules
ZINC000012504490 ZINC
LMFA01030125 LipidMaps
DTXSID0040628 EPA CompTox Dashboard
50394662 BindingDB
155374 Brenda
135248 Brenda
17847 Brenda
136938 Brenda
89994 Brenda
68788 Brenda
140916 Brenda
5282800 PubChem
60052527 NMRShiftDB
14799657 PubChem: Thomson Pharma
2420-56-6 ACToR
PD006429 ProbesDrugs
HMDB0005048 Human Metabolome Database
SCHEMBL1810737 SureChEMBL
44526 ChEBI
N151ZM4M27 FDA SRS
J604.212K Nikkaji
The data in this table is sourced from UniChem at EBI.