Dataset

Lignoceric acid

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N109626_9CB7 contains the MS2 mass spectrum of Lignoceric acid with the InChIkey QZZGJDVWLFXDLK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H48O2/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/h2-23H2,1H3,(H,25,26)
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI Key QZZGJDVWLFXDLK-UHFFFAOYSA-N
Molecular Formula C24H48O2
Exact Mass 368.365 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N109626_9CB7
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:23.957443
MetadataModified 2024-01-11T09:30:24.124866
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
BZV PDBe
15251617 PubChem: Thomson Pharma
557-59-5 ACToR
PD021423 ProbesDrugs
RK3VCW5Y1L FDA SRS
60018597 NMRShiftDB
SCHEMBL132795 SureChEMBL
11197 PubChem
MCULE-9710516271 Mcule
ZINC000006920380 ZINC
MTBLC28866 Metabolights
HMDB0002003 Human Metabolome Database
107335 Brenda
57946 Brenda
130857 Brenda
164218 Brenda
61228 Brenda
164216 Brenda
CB9333161 ChemicalBook
136616 Brenda
514736 eMolecules
C08320 KEGG Ligand
28866 ChEBI
CHEMBL1173620 ChEMBL
J11.350F Nikkaji
LMFA01010024 LipidMaps
DTXSID6021664 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.