Dataset

Triticonazole

This MassBank record with Accession MSBNK-Eawag-EQ00355703 contains the MS2 mass spectrum of Triticonazole with the InChIkey PPDBOQMNKNNODG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3
SMILES CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1
InChI Key PPDBOQMNKNNODG-UHFFFAOYSA-N
Molecular Formula C17H20ClN3O
Exact Mass 317.129 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-EQ00355703
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:26:26.205837
MetadataModified 2025-02-09T09:26:26.406675
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD044793 ProbesDrugs
131983-72-7 ACToR
CHEMBL2356309 ChEMBL
86233 PubChem
DTXSID0032655 EPA CompTox Dashboard
HMDB0259283 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.