Dataset

Methoprotryne

This MassBank record with Accession MSBNK-Eawag-EQ01128104 contains the MS2 mass spectrum of Methoprotryne with the InChIkey DDUIUBPJPOKOMV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)
SMILES CC(C)NC1=NC(=NC(=N1)NCCCOC)SC
InChI Key DDUIUBPJPOKOMV-UHFFFAOYSA-N
Molecular Formula C11H21N5OS
Exact Mass 271.147 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-EQ01128104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:16:34.388923
MetadataModified 2025-02-09T10:00:10.955274
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C19104 KEGG Ligand
CB8416209 ChemicalBook
13290 PubChem
J9.467F Nikkaji
82226 ChEBI
ZINC000002040313 ZINC
DTXSID2040286 EPA CompTox Dashboard
15071056 PubChem: Thomson Pharma
841-06-5 ACToR
SCHEMBL136002 SureChEMBL
31X54QGQ17 FDA SRS
500903 eMolecules
The data in this table is sourced from UniChem at EBI.