Dataset

Nervonic acid

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106726_9CB7 contains the MS2 mass spectrum of Nervonic acid with the InChIkey GWHCXVQVJPWHRF-KTKRTIGZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-
SMILES CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
InChI Key GWHCXVQVJPWHRF-KTKRTIGZSA-N
Molecular Formula C24H46O2
Exact Mass 366.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N106726_9CB7
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:25.839694
MetadataModified 2024-01-11T09:36:25.980638
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
LMFA01030092 LipidMaps
HY-N2526 MedChemExpress
ZINC000006920440 ZINC
HMDB0002368 Human Metabolome Database
84175 Brenda
171300 Brenda
10732 Brenda
MTBLC44247 Metabolights
55058 Brenda
208304 Brenda
CB5304545 ChemicalBook
5281120 PubChem
60020620 NMRShiftDB
PD018005 ProbesDrugs
14779352 PubChem: Thomson Pharma
506-37-6 ACToR
91OQS788BE FDA SRS
SCHEMBL21103 SureChEMBL
J11.357C Nikkaji
44247 ChEBI
C08323 KEGG Ligand
CHEMBL1173379 ChEMBL
NER PDBe
532004 eMolecules
The data in this table is sourced from UniChem at EBI.