Dataset

Fenamidone

This MassBank record with Accession MSBNK-Eawag-EQ305601 contains the MS2 mass spectrum of Fenamidone with the InChIkey LMVPQMGRYSRMIW-KRWDZBQOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1
SMILES O=C2N(Nc1ccccc1)C(\SC)=N/[C@]2(c3ccccc3)C
InChI Key LMVPQMGRYSRMIW-KRWDZBQOSA-N
Molecular Formula C17H17N3OS
Exact Mass 311.109 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ305601
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:36:18.823003
MetadataModified 2025-02-09T10:59:27.016658
MetadataPublished 2015-08-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID2034590 EPA CompTox Dashboard
J1.067.642H Nikkaji
CB7330333 ChemicalBook
252969 Brenda
CHEMBL1232792 ChEMBL
FNM PDBe
ZINC000013827994 ZINC
SCHEMBL22306 SureChEMBL
10403199 PubChem
DN24MG2Z5E FDA SRS
15420229 PubChem: Thomson Pharma
161326-34-7 ACToR
83258 ChEBI
499190 eMolecules
The data in this table is sourced from UniChem at EBI.