Dataset

Trimethoprim

This MassBank record with Accession MSBNK-Waters-WA000866 contains the MS mass spectrum of Trimethoprim with the InChIkey IEDVJHCEMCRBQM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
SMILES COc(c1)c(OC)c(OC)cc(Cc(c2)c(N)nc(N)n2)1
InChI Key IEDVJHCEMCRBQM-UHFFFAOYSA-N
Molecular Formula C14H18N4O3
Exact Mass 290.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000866
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:52.189125
MetadataModified 2024-01-11T22:48:52.346691
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C01965 KEGG Ligand
DB00440 DrugBank
TOP PDBe
SAM002264649 NIH Clinical Collection
CHEMBL22 ChEMBL
27524526 eMolecules
511466 eMolecules
SCHEMBL24506 SureChEMBL
45924 ChEBI
MCULE-6670904388 Mcule
5578 PubChem
J9.454D Nikkaji
AMXBPM CCDC
252944 Brenda
PD002101 ProbesDrugs
AN164J8Y0X FDA SRS
LSM-5246 LINCS
8064-90-2 ACToR
14824824 PubChem: Thomson Pharma
PA451788 PharmGKB
trimethoprim Selleck
738-70-5 ACToR
503 Brenda
155221 Brenda
55818 Brenda
HMDB0014583 Human Metabolome Database
95248 Brenda
trimethoprim DailyMed
CB2745185 ChemicalBook
ZINC000006627681 ZINC
10931 Guide to Pharmacology
2755 DrugCentral
DTXSID3023712 EPA CompTox Dashboard
HY-B0510 MedChemExpress
TRIMETHOPRIM SULFATE clinicaltrials
TRIMETHOPRIM HYDROCHLORIDE clinicaltrials
TRIMETHOPRIM clinicaltrials
PROLOPRIM clinicaltrials
TRIMPEX clinicaltrials
TRIMETHOPRIM HYDROCHLORIDE rxnorm
TRIMETHOPRIM rxnorm
PRIMSOL rxnorm
TRIMETHOPRIM SULFATE rxnorm
TRIMETHOPRIM DailyMed
18069 BindingDB
The data in this table is sourced from UniChem at EBI.