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	2024-01-11T16:37:44.725827
MetadataPublished	2016-01-19

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
20200180	NMRShiftDB
J35.390F	Nikkaji
171846	ChEBI
DTXSID9047099	EPA CompTox Dashboard
MCULE-7844383556	Mcule
ERL32M2M38	FDA SRS
10431	Brenda
495248	eMolecules
CB9676141	ChemicalBook
197688	Brenda
197678	Brenda
HMDB0036784	Human Metabolome Database
3742	Brenda
153685	Brenda
62859	Brenda
CHEMBL372447	ChEMBL
The data in this table is sourced from UniChem at EBI.