Dataset

delta-Undecalactone

This MassBank record with Accession MSBNK-Fiocruz-FIO00257 contains the MS2 mass spectrum of delta-Undecalactone with the InChIkey YZRXRLLRSPQHDK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
SMILES	CCCCCCC(C1)OC(=O)CC1
InChI Key	YZRXRLLRSPQHDK-UHFFFAOYSA-N
Molecular Formula	C11H20O2
Exact Mass	184.146 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00257
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:37:44.553418
MetadataModified	2025-02-09T13:02:10.495860
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
61204	PubChem
710-04-3	ACToR
15243756	PubChem: Thomson Pharma
SCHEMBL1132045	SureChEMBL
118100-37-1	ACToR
62859	Brenda
153685	Brenda
3742	Brenda
HMDB0036784	Human Metabolome Database
197678	Brenda
197688	Brenda
10431	Brenda
20200180	NMRShiftDB
ERL32M2M38	FDA SRS
MCULE-7844383556	Mcule
J35.390F	Nikkaji
DTXSID9047099	EPA CompTox Dashboard
171846	ChEBI
CB9676141	ChemicalBook
495248	eMolecules
CHEMBL372447	ChEMBL
The data in this table is sourced from UniChem at EBI.