Dataset

12-Hydroxy lauric acid

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107026_9CB7 contains the MS2 mass spectrum of 12-Hydroxy lauric acid with the InChIkey ZDHCZVWCTKTBRY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
SMILES	OCCCCCCCCCCCC(O)=O
InChI Key	ZDHCZVWCTKTBRY-UHFFFAOYSA-N
Molecular Formula	C12H24O3
Exact Mass	216.173 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107026_9CB7
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:39:20.334218
MetadataModified	2025-02-08T18:50:12.261202
MetadataPublished	2022-04-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
39567	ChEBI
SCHEMBL154530	SureChEMBL
CB7405020	ChemicalBook
157948	Brenda
MTBLC39567	Metabolights
104307	Brenda
3007	Brenda
HMDB0002059	Human Metabolome Database
3301	Brenda
79034	PubChem
60023220	NMRShiftDB
14843603	PubChem: Thomson Pharma
505-95-3	ACToR
PD006687	ProbesDrugs
487713	eMolecules
DB03704	DrugBank
CHEMBL55068	ChEMBL
12H	PDBe
C08317	KEGG Ligand
HY-128743	MedChemExpress
221505	Brenda
222150	Brenda
50511009	BindingDB
SUH3LR2K9D	FDA SRS
6922	Guide to Pharmacology
DTXSID90198521	EPA CompTox Dashboard
LMFA01050039	LipidMaps
ZINC000001531061	ZINC
J182.260H	Nikkaji
MCULE-6776936355	Mcule
The data in this table is sourced from UniChem at EBI.