Dataset

Baquiloprim

This MassBank record with Accession MSBNK-Athens_Univ-AU117803 contains the MS2 mass spectrum of Baquiloprim with the InChIkey AIOWJIMWVFWROP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H20N6/c1-10-7-11(8-12-9-21-17(19)22-16(12)18)13-5-4-6-20-14(13)15(10)23(2)3/h4-7,9H,8H2,1-3H3,(H4,18,19,21,22)
SMILES CC1=CC(=C2C=CC=NC2=C1N(C)C)CC3=CN=C(N=C3N)N
InChI Key AIOWJIMWVFWROP-UHFFFAOYSA-N
Molecular Formula C17H20N6
Exact Mass 308.175 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-AU117803
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:46:20.125024
MetadataModified 2024-01-11T09:46:20.311814
MetadataPublished 2015-09-23
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID90891424 EPA CompTox Dashboard
HY-19581 MedChemExpress
ZINC000000000989 ZINC
HMDB0248865 Human Metabolome Database
J35.094J Nikkaji
SCHEMBL9007835 SureChEMBL
CHEMBL2105911 ChEMBL
14825596 PubChem: Thomson Pharma
PD075275 ProbesDrugs
9861430 PubChem
3DE766VIG6 FDA SRS
30513387 eMolecules
The data in this table is sourced from UniChem at EBI.