Dataset

Lignoceric acid

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N109626_B8BB contains the MS2 mass spectrum of Lignoceric acid with the InChIkey QZZGJDVWLFXDLK-UHFFFAOYSA-N.

Chemical Info

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

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N109626_B8BB
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:30:16.996557
MetadataModified	2024-01-11T09:30:17.172018
MetadataPublished	2022-04-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
RK3VCW5Y1L	FDA SRS
BZV	PDBe
PD021423	ProbesDrugs
60018597	NMRShiftDB
15251617	PubChem: Thomson Pharma
557-59-5	ACToR
J11.350F	Nikkaji
11197	PubChem
MCULE-9710516271	Mcule
SCHEMBL132795	SureChEMBL
57946	Brenda
130857	Brenda
164216	Brenda
MTBLC28866	Metabolights
ZINC000006920380	ZINC
CB9333161	ChemicalBook
HMDB0002003	Human Metabolome Database
136616	Brenda
107335	Brenda
61228	Brenda
164218	Brenda
DTXSID6021664	EPA CompTox Dashboard
LMFA01010024	LipidMaps
C08320	KEGG Ligand
CHEMBL1173620	ChEMBL
28866	ChEBI
514736	eMolecules
The data in this table is sourced from UniChem at EBI.