Dataset

delta-Undecalactone

This MassBank record with Accession MSBNK-Fiocruz-FIO00258 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

delta-UndecalactoneHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00258
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:39:59.514297
MetadataModified	2024-01-11T16:39:59.706161
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J35.390F	Nikkaji
20200180	NMRShiftDB
171846	ChEBI
DTXSID9047099	EPA CompTox Dashboard
MCULE-7844383556	Mcule
ERL32M2M38	FDA SRS
61204	PubChem
710-04-3	ACToR
118100-37-1	ACToR
SCHEMBL1132045	SureChEMBL
15243756	PubChem: Thomson Pharma
495248	eMolecules
62859	Brenda
HMDB0036784	Human Metabolome Database
CB9676141	ChemicalBook
10431	Brenda
MolPort-003-929-325	MolPort
153685	Brenda
197688	Brenda
3742	Brenda
197678	Brenda
CHEMBL372447	ChEMBL
The data in this table is sourced from UniChem at EBI.