Dataset

Arprinocid

This MassBank record with Accession MSBNK-Athens_Univ-AU108205 contains the MS2 mass spectrum of Arprinocid with the InChIkey NAPNOSFRRMHNBJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)
SMILES c1cc(c(c(c1)Cl)Cn2cnc3c2ncnc3N)F
InChI Key NAPNOSFRRMHNBJ-UHFFFAOYSA-N
Molecular Formula C12H9ClFN5
Exact Mass 277.053 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-AU108205
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:53:57.301246
MetadataModified 2025-02-08T18:55:15.283814
MetadataPublished 2015-09-22
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
41574 PubChem
PD068669 ProbesDrugs
182830 ChEBI
15393533 PubChem: Thomson Pharma
SCHEMBL126655 SureChEMBL
55779-18-5 ACToR
6A0XTA8ZUH FDA SRS
2723465 eMolecules
CHEMBL321993 ChEMBL
J11.852D Nikkaji
ZINC000000000969 ZINC
CB6410975 ChemicalBook
FIBGEC CCDC
DTXSID3057773 EPA CompTox Dashboard
22395280 PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.