Dataset

Cyclanilide

This MassBank record with Accession MSBNK-Waters-WA000203 contains the MS2 mass spectrum of Cyclanilide with the InChIkey GLWWLNJJJCTFMZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
SMILES OC(=O)C(C2)(C2)C(=O)Nc(c1)c(Cl)cc(Cl)c1
InChI Key GLWWLNJJJCTFMZ-UHFFFAOYSA-N
Molecular Formula C11H9Cl2NO3
Exact Mass 272.996 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:36:38.722550
MetadataModified 2025-02-09T20:27:26.248114
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002511855 ZINC
SCHEMBL119561 SureChEMBL
17498220 eMolecules
11097730 PubChem
E5WZ0SSS5V FDA SRS
113136-77-9 ACToR
16169852 PubChem: Thomson Pharma
CHEMBL1904079 ChEMBL
CB0400167 ChemicalBook
J3.180.206G Nikkaji
148439 ChEBI
HMDB0250621 Human Metabolome Database
DTXSID5032600 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.