Dataset

Robenidine

This MassBank record with Accession MSBNK-Athens_Univ-AU109303 contains the MS2 mass spectrum of Robenidine with the InChIkey MOOFYEJFXBSZGE-LQGKIZFRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9+,20-10+
SMILES C1=CC(=CC=C1/C=N/NC(=N)N/N=C/C2=CC=C(C=C2)Cl)Cl
InChI Key MOOFYEJFXBSZGE-LQGKIZFRSA-N
Molecular Formula C15H13Cl2N5
Exact Mass 333.055 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-Athens_Univ-AU109303
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:42:42.277356
MetadataModified 2024-01-11T09:42:42.448222
MetadataPublished 2015-09-22
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002013227 ZINC
CB52131156 ChemicalBook
ROBENIDINE rxnorm
SCHEMBL17536045 SureChEMBL
DB11542 DrugBank
ROBENIDINE HYDROCHLORIDE rxnorm
9570438 PubChem
51854790 PubChem
21419483 PubChem
14777638 PubChem: Thomson Pharma
SCHEMBL23858311 SureChEMBL
4888ME6C4E FDA SRS
SCHEMBL571509 SureChEMBL
PD013564 ProbesDrugs
J20.068I Nikkaji
CHEMBL97137 ChEMBL
563574 eMolecules
The data in this table is sourced from UniChem at EBI.