Dataset

Aziprotryne

This MassBank record with Accession MSBNK-LCSB-LU084956 contains the MS2 mass spectrum of Aziprotryne with the InChIkey AFIIBUOYKYSPKB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)
SMILES CSC1=NC(NC(C)C)=NC(N=[N+]=[N-])=N1
InChI Key AFIIBUOYKYSPKB-UHFFFAOYSA-N
Molecular Formula C7H11N7S
Exact Mass 225.080 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-LU084956
Version
Author
Maintainer
Language
MetadataCreated 2024-01-15T12:00:42.619130
MetadataModified 2025-02-09T15:34:32.387386
MetadataPublished 2020-08-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C19099 KEGG Ligand
CHEMBL3185330 ChEMBL
J9.629F Nikkaji
DTXSID3041615 EPA CompTox Dashboard
82221 ChEBI
ZINC000013563396 ZINC
SCHEMBL134486 SureChEMBL
5756385 PubChem
3032472 PubChem
4658-28-0 ACToR
FB6H0KNM39 FDA SRS
SCHEMBL24052568 SureChEMBL
509544 eMolecules
The data in this table is sourced from UniChem at EBI.