Dataset

SMZ-PtO

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET310306 contains the MS2 mass spectrum of SMZ-PtO with the InChIkey ZTEDFROSGMEYCI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H15N7O5S/c1-9-6-13(23-29-9)24-30(27,28)12-4-2-10(3-5-12)18-7-11-8-19-15-14(20-11)16(25)22-17(26)21-15/h2-6,8,18H,7H2,1H3,(H,23,24)(H2,19,21,22,25,26)
SMILES CC1=CC(NS(=O)(C2=CC=C(NCC3=NC(C(NC(O)=N4)=O)=C4N=C3)C=C2)=O)=NO1
InChI Key ZTEDFROSGMEYCI-UHFFFAOYSA-N
Molecular Formula C17H15N7O5S
Exact Mass 429.086 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_Additional_Specs-ET310306
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:49:39.160809
MetadataModified 2025-02-09T11:10:37.412513
MetadataPublished 2016-12-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
133052790 PubChem
The data in this table is sourced from UniChem at EBI.