Dataset

Lignoceric acid

This MassBank record with Accession MSBNK-BS-BS003926 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 C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key QZZGJDVWLFXDLK-UHFFFAOYSA-N
Molecular Formula C24H48O2
Exact Mass 368.365 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-BS003926
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:39:16.880795
MetadataModified 2025-02-09T08:51:57.085143
MetadataPublished 2017-12-01
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C08320 KEGG Ligand
28866 ChEBI
CHEMBL1173620 ChEMBL
CB9333161 ChemicalBook
ZINC000006920380 ZINC
J11.350F Nikkaji
LMFA01010024 LipidMaps
DTXSID6021664 EPA CompTox Dashboard
RK3VCW5Y1L FDA SRS
BZV PDBe
PD021423 ProbesDrugs
60018597 NMRShiftDB
15251617 PubChem: Thomson Pharma
557-59-5 ACToR
514736 eMolecules
164216 Brenda
130857 Brenda
164218 Brenda
61228 Brenda
57946 Brenda
136616 Brenda
HMDB0002003 Human Metabolome Database
MTBLC28866 Metabolights
107335 Brenda
MCULE-9710516271 Mcule
SCHEMBL132795 SureChEMBL
11197 PubChem
The data in this table is sourced from UniChem at EBI.