Dataset

Ipconazole

This MassBank record with Accession MSBNK-Eawag-EQ01137401 contains the MS2 mass spectrum of Ipconazole with the InChIkey QTYCMDBMOLSEAM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
SMILES CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl
InChI Key QTYCMDBMOLSEAM-UHFFFAOYSA-N
Molecular Formula C18H24ClN3O
Exact Mass 333.161 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-EQ01137401
Version
Author
Maintainer
Language
MetadataCreated 2024-01-15T11:58:35.031907
MetadataModified 2024-01-15T11:58:35.285460
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18471 KEGG Ligand
DTXSID7034674 EPA CompTox Dashboard
CB4314334 ChemicalBook
24261663 PubChem: Thomson Pharma
J576.490D Nikkaji
CHEMBL3185422 ChEMBL
81770 ChEBI
86211 PubChem
SCHEMBL21696 SureChEMBL
125225-28-7 ACToR
The data in this table is sourced from UniChem at EBI.