Dataset

Prothioconazole

This MassBank record with Accession MSBNK-Eawag-EQ00381357 contains the MS2 mass spectrum of Prothioconazole with the InChIkey MNHVNIJQQRJYDH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)
SMILES C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl
InChI Key MNHVNIJQQRJYDH-UHFFFAOYSA-N
Molecular Formula C14H15Cl2N3OS
Exact Mass 343.031 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-EQ00381357
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:54:16.039990
MetadataModified 2025-02-09T09:54:16.217276
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6451142 PubChem
CB9500604 ChemicalBook
135242 Brenda
SCHEMBL21497 SureChEMBL
16099454 PubChem: Thomson Pharma
14925052 PubChem: Thomson Pharma
178928-70-6 ACToR
10987936 eMolecules
252974 Brenda
84008 ChEBI
J2.102.540B Nikkaji
27B9FV58IY FDA SRS
YEDNAX CCDC
DTXSID4034869 EPA CompTox Dashboard
CHEMBL2251446 ChEMBL
C18888 KEGG Ligand
The data in this table is sourced from UniChem at EBI.