Dataset

TRIMETHOPRIM; ESI-QTOF; MS2; CE 18eV; [M+H]+

This MassBank record with Accession MSBNK-UPAO-UPA00020 contains the MS2 mass spectrum of TRIMETHOPRIM with the InChIkey IEDVJHCEMCRBQM-UHFFFAOYSA-N.

Chemical Information

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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00020
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL22 ChEMBL
    C01965 KEGG Ligand
    SAM002264649 NIH Clinical Collection
    TOP PDBe
    DB00440 DrugBank
    155221 Brenda
    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
    TRIMETHOPRIM DailyMed
    TRIMETHOPRIM SULFATE rxnorm
    PRIMSOL rxnorm
    SCHEMBL24506 SureChEMBL
    45924 ChEBI
    5578 PubChem
    MCULE-6670904388 Mcule
    trimethoprim DailyMed
    95248 Brenda
    CB2745185 ChemicalBook
    HMDB0014583 Human Metabolome Database
    ZINC000006627681 ZINC
    55818 Brenda
    503 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
    27524526 eMolecules
    511466 eMolecules
    The data in this table is sourced from UniChem at EBI.