Dataset

N-Acetylcaprolactam

This MassBank record with Accession MSBNK-Eawag-EQ01142209 contains the MS2 mass spectrum of N-Acetylcaprolactam with the InChIkey QISSLHPKTCLLDL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
SMILES CC(=O)N1CCCCCC1=O
InChI Key QISSLHPKTCLLDL-UHFFFAOYSA-N
Molecular Formula C8H13NO2
Exact Mass 155.095 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-EQ01142209
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:44:04.348057
MetadataModified 2025-02-09T09:31:27.624858
MetadataPublished 2023-08-10
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15904 PubChem
15321678 PubChem: Thomson Pharma
1888-91-1 ACToR
182373 ChEBI
474667 eMolecules
SCHEMBL18566 SureChEMBL
MCULE-4370546215 Mcule
20037344 NMRShiftDB
ZINC000004521104 ZINC
CB2131524 ChemicalBook
171CCE77J8 FDA SRS
DTXSID1062041 EPA CompTox Dashboard
J68.152K Nikkaji
CHEMBL12355 ChEMBL
The data in this table is sourced from UniChem at EBI.