Dataset

Hexanamide

This MassBank record with Accession MSBNK-Eawag-EQ01061902 contains the MS2 mass spectrum of Hexanamide with the InChIkey ALBYIUDWACNRRB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
SMILES	CCCCCC(=O)N
InChI Key	ALBYIUDWACNRRB-UHFFFAOYSA-N
Molecular Formula	C6H13NO
Exact Mass	115.100 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01061902
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:00:42.640845
MetadataModified	2025-02-09T10:00:42.826077
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD014791	ProbesDrugs
15119794	PubChem: Thomson Pharma
100358-60-9	ACToR
628-02-4	ACToR
12332	PubChem
495439	eMolecules
R0YX4OJ6TW	FDA SRS
SCHEMBL9392	SureChEMBL
20200114	NMRShiftDB
142683	ChEBI
97461	Brenda
20174	Brenda
126358	Brenda
13602	Brenda
5775	Brenda
132721	Brenda
CHEMBL1523958	ChEMBL
ZZZLXS	CCDC
J6.874H	Nikkaji
ZINC000001586742	ZINC
DTXSID6020696	EPA CompTox Dashboard
MCULE-3215992514	Mcule
CB0306221	ChemicalBook
The data in this table is sourced from UniChem at EBI.