Dataset

delta-Decalactone

This MassBank record with Accession MSBNK-Fiocruz-FIO00038 contains the MS2 mass spectrum of delta-Decalactone with the InChIkey GHBSPIPJMLAMEP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
SMILES	CCCCCC(C1)OC(=O)CC1
InChI Key	GHBSPIPJMLAMEP-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-FIO00038
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:43:15.095075
MetadataModified	2024-01-11T16:43:15.282777
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-2527242599	Mcule
474153	eMolecules
60023332	NMRShiftDB
PD164987	ProbesDrugs
35221-79-5	ACToR
705-86-2	ACToR
SCHEMBL114875	SureChEMBL
14916275	PubChem: Thomson Pharma
12810	PubChem
DTXSID0044496	EPA CompTox Dashboard
LMFA07040028	LipidMaps
MTBLC87327	Metabolights
HMDB0037116	Human Metabolome Database
CB4173140	ChemicalBook
34405	Brenda
J35.391D	Nikkaji
CHEMBL3182189	ChEMBL
.DELTA.-DECALACTONE	rxnorm
87327	ChEBI
CNA0S5T234	FDA SRS
232967	Brenda
HY-W016979	MedChemExpress
The data in this table is sourced from UniChem at EBI.