Dataset

gamma-Decalactone

This MassBank record with Accession MSBNK-Fiocruz-FIO00041 contains the MS2 mass spectrum of gamma-Decalactone with the InChIkey IFYYFLINQYPWGJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
SMILES	CCCCCCC(C1)OC(=O)C1
InChI Key	IFYYFLINQYPWGJ-UHFFFAOYSA-N
Molecular Formula	C10H18O2
Exact Mass	170.131 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-FIO00041
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:39:58.173725
MetadataModified	2024-01-11T16:39:58.351015
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HY-N7105	MedChemExpress
DECAN-4-OLIDE	rxnorm
145740	ChEBI
DTXSID4022109	EPA CompTox Dashboard
7HLS05KP9O	FDA SRS
50167997	BindingDB
MCULE-8274362783	Mcule
J14.171B	Nikkaji
MolPort-001-769-697	MolPort
SCHEMBL113200	SureChEMBL
60019153	NMRShiftDB
496570	eMolecules
CHEMBL365740	ChEMBL
CB1270516	ChemicalBook
156890	Brenda
34406	Brenda
HMDB0037217	Human Metabolome Database
12813	PubChem
PD088101	ProbesDrugs
14940780	PubChem: Thomson Pharma
706-14-9	ACToR
1336-42-1	ACToR
The data in this table is sourced from UniChem at EBI.