Dataset

3,6,9,12-Tetraoxatetracosan-1-ol

This MassBank record with Accession MSBNK-Athens_Univ-AU406505 contains the MS2 mass spectrum of 3,6,9,12-Tetraoxatetracosan-1-ol with the InChIkey WPMWEFXCIYCJSA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3
SMILES	CCCCCCCCCCCCOCCOCCOCCOCCO
InChI Key	WPMWEFXCIYCJSA-UHFFFAOYSA-N
Molecular Formula	C20H42O5
Exact Mass	362.303 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU406505
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:47:21.425778
MetadataModified	2025-02-08T19:23:20.010808
MetadataPublished	2015-12-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
BRIJ 30	clinicaltrials
BRIJ-30	clinicaltrials
LAURETH 4	clinicaltrials
HMDB0246913	Human Metabolome Database
DTXSID3063752	EPA CompTox Dashboard
J151.203J	Nikkaji
MCULE-2882952206	Mcule
CHEMBL500128	ChEMBL
14876928	PubChem: Thomson Pharma
78933	PubChem
181087	ChEBI
68526-94-3	ACToR
5274-68-0	ACToR
68131-39-5	ACToR
66455-14-9	ACToR
9002-92-0	ACToR
68213-23-0	ACToR
68439-50-9	ACToR
68603-20-3	ACToR
484916	eMolecules
CB2706807	ChemicalBook
ZINC000008214594	ZINC
CB4688466	ChemicalBook
SCHEMBL43045	SureChEMBL
The data in this table is sourced from UniChem at EBI.