Dataset

Methyl laurate

This MassBank record with Accession MSBNK-Athens_Univ-AU508101 contains the MS2 mass spectrum of Methyl laurate with the InChIkey UQDUPQYQJKYHQI-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
SMILES	CCCCCCCCCCCC(=O)OC
InChI Key	UQDUPQYQJKYHQI-UHFFFAOYSA-N
Molecular Formula	C13H26O2
Exact Mass	214.193 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-Athens_Univ-AU508101
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:12:09.570515
MetadataModified	2025-02-08T19:04:15.369494
MetadataPublished	2021-04-20
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1894365	ChEMBL
J374C	Nikkaji
BIPKIX	CCDC
ZINC000001680661	ZINC
DTXSID5026889	EPA CompTox Dashboard
LAURIC ACID METHYL ESTER	rxnorm
87494	ChEBI
MCULE-5588995078	Mcule
LMFA07010463	LipidMaps
CB6274029	ChemicalBook
SCHEMBL38030	SureChEMBL
HMDB0031018	Human Metabolome Database
163420	Brenda
MTBLC87494	Metabolights
34407	Brenda
60033771	NMRShiftDB
PD043858	ProbesDrugs
8IPS6BI6KW	FDA SRS
111-82-0	ACToR
14770005	PubChem: Thomson Pharma
8139	PubChem
490537	eMolecules
The data in this table is sourced from UniChem at EBI.