Dataset

Trimethoprim

This MassBank record with Accession MSBNK-Waters-WA000863 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-WA000863
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:28.170291
MetadataModified 2024-01-11T22:49:28.334560
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
CHEMBL22 ChEMBL
SAM002264649 NIH Clinical Collection
TOP PDBe
TRIMETHOPRIM SULFATE rxnorm
TRIMETHOPRIM DailyMed
TRIMETHOPRIM rxnorm
TRIMETHOPRIM HYDROCHLORIDE rxnorm
TRIMETHOPRIM clinicaltrials
TRIMETHOPRIM HYDROCHLORIDE clinicaltrials
TRIMETHOPRIM SULFATE clinicaltrials
TRIMPEX clinicaltrials
PROLOPRIM clinicaltrials
HY-B0510 MedChemExpress
DTXSID3023712 EPA CompTox Dashboard
2755 DrugCentral
J9.454D Nikkaji
252944 Brenda
AMXBPM CCDC
18069 BindingDB
10931 Guide to Pharmacology
PRIMSOL rxnorm
45924 ChEBI
5578 PubChem
SCHEMBL24506 SureChEMBL
MCULE-6670904388 Mcule
27524526 eMolecules
511466 eMolecules
155221 Brenda
ZINC000006627681 ZINC
503 Brenda
55818 Brenda
95248 Brenda
HMDB0014583 Human Metabolome Database
CB2745185 ChemicalBook
trimethoprim DailyMed
738-70-5 ACToR
14824824 PubChem: Thomson Pharma
PA451788 PharmGKB
LSM-5246 LINCS
AN164J8Y0X FDA SRS
PD002101 ProbesDrugs
8064-90-2 ACToR
trimethoprim Selleck
The data in this table is sourced from UniChem at EBI.