Dataset

Dodecanoic acid

This MassBank record with Accession MSBNK-Athens_Univ-AU507901 contains the MS2 mass spectrum of Dodecanoic acid with the InChIkey POULHZVOKOAJMA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
SMILES	CCCCCCCCCCCC(=O)O
InChI Key	POULHZVOKOAJMA-UHFFFAOYSA-N
Molecular Formula	C12H24O2
Exact Mass	200.178 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU507901
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:47:54.393378
MetadataModified	2024-01-11T09:47:54.554607
MetadataPublished	2021-04-20

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
LAURIC ACID	rxnorm
CB4166931	ChemicalBook
HY-Y0366	MedChemExpress
912	Brenda
DTXSID5021590	EPA CompTox Dashboard
LAURAC	CCDC
4642	DrugCentral
ZINC000001529498	ZINC
SCHEMBL5895	SureChEMBL
5534	Guide to Pharmacology
J2.548H	Nikkaji
LMFA01010012	LipidMaps
C02679	KEGG Ligand
DB03017	DrugBank
CHEMBL108766	ChEMBL
30805	ChEBI
DAO	PDBe
PD020396	ProbesDrugs
1160N9NU9U	FDA SRS
143-07-7	ACToR
15195524	PubChem: Thomson Pharma
HMDB0000638	Human Metabolome Database
50180948	BindingDB
CB0357278	ChemicalBook
3893	PubChem
2019	Brenda
959	Brenda
137270	Brenda
2737	Brenda
MTBLC30805	Metabolights
495322	eMolecules
10008731	NMRShiftDB
MCULE-2795129925	Mcule
The data in this table is sourced from UniChem at EBI.