Dataset

Ethyl 3-(N-butylacetamido)propanoate

This MassBank record with Accession MSBNK-Eawag-EQ01142107 contains the MS2 mass spectrum of Ethyl 3-(N-butylacetamido)propanoate with the InChIkey VZRKEAFHFMSHCD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3
SMILES CCCCN(CCC(=O)OCC)C(=O)C
InChI Key VZRKEAFHFMSHCD-UHFFFAOYSA-N
Molecular Formula C11H21NO3
Exact Mass 215.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01142107
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:36:02.581964
MetadataModified 2025-02-09T10:03:43.484243
MetadataPublished 2023-08-10
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB2163451 ChemicalBook
J295.634I Nikkaji
HMDB0246904 Human Metabolome Database
81991 ChEBI
DTXSID9035753 EPA CompTox Dashboard
C18830 KEGG Ligand
14748986 PubChem: Thomson Pharma
104150 PubChem
52304-36-6 ACToR
362607-57-6 ACToR
70001278 NMRShiftDB
65GQA237EH FDA SRS
10454385 eMolecules
ZINC000002558693 ZINC
CHEMBL2230259 ChEMBL
SCHEMBL16475 SureChEMBL
The data in this table is sourced from UniChem at EBI.