Dataset

Topramezone

This MassBank record with Accession MSBNK-LCSB-LU046054 contains the MS2 mass spectrum of Topramezone with the InChIkey IYMLUHWAJFXAQP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,21H,6-7H2,1-3H3
SMILES CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O
InChI Key IYMLUHWAJFXAQP-UHFFFAOYSA-N
Molecular Formula C16H17N3O5S
Exact Mass 363.089 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-LCSB-LU046054
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:28:05.735121
MetadataModified 2025-02-09T15:31:38.415416
MetadataPublished 2020-08-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL116121 SureChEMBL
CHEMBL2272076 ChEMBL
CB2501011 ChemicalBook
DTXSID0034722 EPA CompTox Dashboard
J2.454.595D Nikkaji
ZINC000101094494 ZINC
131999 ChEBI
210631-68-8 ACToR
W4934JAQ65 FDA SRS
24281270 eMolecules
PD122194 ProbesDrugs
16391404 PubChem: Thomson Pharma
DB14826 DrugBank
The data in this table is sourced from UniChem at EBI.