Dataset

Linoleic acid

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N105528_B8BB contains the MS2 mass spectrum of Linoleic acid with the InChIkey OYHQOLUKZRVURQ-HZJYTTRNSA-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/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
InChI Key OYHQOLUKZRVURQ-HZJYTTRNSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N105528_B8BB
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:40:36.115893
MetadataModified 2025-02-08T18:46:37.134092
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60018537 NMRShiftDB
14897568 PubChem: Thomson Pharma
PD013641 ProbesDrugs
221817 Brenda
9KJL21T0QJ FDA SRS
2197-37-7 ACToR
5280450 PubChem
80969-37-5 ACToR
506-21-8 ACToR
524840 eMolecules
14245 Brenda
84984 Brenda
13238 Brenda
808 Brenda
HMDB0000673 Human Metabolome Database
DB14104 DrugBank
CB9125821 ChemicalBook
208330 Brenda
206199 Brenda
ZINC000004474613 ZINC
MTBLC17351 Metabolights
8327 Brenda
8792 Brenda
55517 Brenda
35229 Brenda
175498 Brenda
20089 Brenda
181723 Brenda
428 Brenda
48907 Brenda
30147 Brenda
108790 Brenda
SCHEMBL7067 SureChEMBL
HY-N0729 MedChemExpress
LSM-42867 LINCS
DTXSID2025505 EPA CompTox Dashboard
LMFA01030120 LipidMaps
3323 DrugCentral
J4.801A Nikkaji
LINOLA CCDC
22231 BindingDB
LINOLEIC ACID DailyMed
225329 Brenda
228714 Brenda
LINOLEIC ACID rxnorm
LINOLEATE rxnorm
LINOLEIC ACID clinicaltrials
26755855 eMolecules
1052 Guide to Pharmacology
EIC PDBe
C01595 KEGG Ligand
17351 ChEBI
CHEMBL267476 ChEMBL
The data in this table is sourced from UniChem at EBI.