Dataset

Trimethoprim; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA000862 contains the MS 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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000862
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
    DB00440 drugbank
    CHEBI:45924 chebi
    TOP rcsb_pdb
    CHEMBL22 chembl
    24506 surechembl
    28042088 surechembl
    29462189 surechembl
    5578 pubchem
    TOP pdbe
    10931 gtopdb
    PD002101 probes_and_drugs
    AMXBPM CCDC
    155221 brenda
    189794 brenda
    252944 brenda
    503 brenda
    55818 brenda
    95248 brenda
    AN164J8Y0X fdasrs
    HMDB0014583 hmdb
    DTXSID3023712 comptox
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    NCT00000655 clinicaltrials
    NCT00000715 clinicaltrials
    NCT00000727 clinicaltrials
    NCT00000730 clinicaltrials
    NCT00000748 clinicaltrials
    NCT00000811 clinicaltrials
    NCT00000816 clinicaltrials
    NCT00000826 clinicaltrials
    NCT00000991 clinicaltrials
    NCT00001013 clinicaltrials
    NCT00001014 clinicaltrials
    NCT00002120 clinicaltrials
    NCT00002524 clinicaltrials
    NCT00002571 clinicaltrials
    NCT00002850 clinicaltrials
    NCT00004216 clinicaltrials
    NCT00014911 clinicaltrials
    NCT00061945 clinicaltrials
    NCT00078559 clinicaltrials
    NCT00080119 clinicaltrials
    NCT00126698 clinicaltrials
    NCT00137657 clinicaltrials
    NCT00141037 clinicaltrials
    NCT00168532 clinicaltrials
    NCT00302341 clinicaltrials
    NCT00324922 clinicaltrials
    NCT00330304 clinicaltrials
    NCT00380640 clinicaltrials
    NCT00382343 clinicaltrials
    NCT00405704 clinicaltrials
    NCT00427076 clinicaltrials
    NCT00527800 clinicaltrials
    NCT00613769 clinicaltrials
    NCT00636935 clinicaltrials
    NCT00636935 clinicaltrials
    NCT00674921 clinicaltrials
    NCT00679302 clinicaltrials
    NCT00691600 clinicaltrials
    NCT00711854 clinicaltrials
    NCT00711906 clinicaltrials
    NCT00729937 clinicaltrials
    NCT00730028 clinicaltrials
    NCT00752375 clinicaltrials
    NCT00789464 clinicaltrials
    NCT00791505 clinicaltrials
    NCT00869518 clinicaltrials
    NCT00933049 clinicaltrials
    NCT00934492 clinicaltrials
    NCT00948896 clinicaltrials
    NCT00970879 clinicaltrials
    NCT01053325 clinicaltrials
    NCT01086878 clinicaltrials
    NCT01101412 clinicaltrials
    NCT01167452 clinicaltrials
    NCT01229761 clinicaltrials
    NCT01229761 clinicaltrials
    NCT01349192 clinicaltrials
    NCT01388413 clinicaltrials
    NCT01431170 clinicaltrials
    NCT01449877 clinicaltrials
    NCT01594827 clinicaltrials
    NCT01595438 clinicaltrials
    NCT01595529 clinicaltrials
    NCT01599806 clinicaltrials
    NCT01631617 clinicaltrials
    NCT01632891 clinicaltrials
    NCT01659866 clinicaltrials
    NCT01701297 clinicaltrials
    NCT01723150 clinicaltrials
    NCT01746199 clinicaltrials
    NCT01747278 clinicaltrials
    NCT01756924 clinicaltrials
    NCT01757236 clinicaltrials
    NCT01777737 clinicaltrials
    NCT01792804 clinicaltrials
    NCT01808755 clinicaltrials
    NCT01820897 clinicaltrials
    NCT01899690 clinicaltrials
    NCT01967758 clinicaltrials
    NCT02021006 clinicaltrials
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    NCT02044965 clinicaltrials
    NCT02099240 clinicaltrials
    NCT02123628 clinicaltrials
    NCT02145338 clinicaltrials
    NCT02188472 clinicaltrials
    NCT02282293 clinicaltrials
    NCT02371603 clinicaltrials
    NCT02375295 clinicaltrials
    NCT02475876 clinicaltrials
    NCT02624440 clinicaltrials
    NCT02734732 clinicaltrials
    NCT03014687 clinicaltrials
    NCT03042260 clinicaltrials
    NCT03077711 clinicaltrials
    NCT03087890 clinicaltrials
    NCT03178149 clinicaltrials
    NCT03187834 clinicaltrials
    NCT03228108 clinicaltrials
    NCT03235947 clinicaltrials
    NCT03424525 clinicaltrials
    NCT03431168 clinicaltrials
    NCT03489629 clinicaltrials
    NCT03746106 clinicaltrials
    NCT03919435 clinicaltrials
    NCT03920007 clinicaltrials
    NCT04263792 clinicaltrials
    NCT04368559 clinicaltrials
    NCT04502095 clinicaltrials
    NCT04851015 clinicaltrials
    NCT04985110 clinicaltrials
    NCT05063422 clinicaltrials
    NCT05199324 clinicaltrials
    NCT05224401 clinicaltrials
    NCT05274672 clinicaltrials
    NCT05302531 clinicaltrials
    NCT05331664 clinicaltrials
    NCT05398679 clinicaltrials
    NCT05398679 clinicaltrials
    NCT05418777 clinicaltrials
    NCT05575427 clinicaltrials
    NCT05678621 clinicaltrials
    NCT05696093 clinicaltrials
    NCT05719285 clinicaltrials
    NCT05719285 clinicaltrials
    Molport-001-826-685 molport
    2755 drugcentral
    18069 bindingdb
    The data in this table is sourced from UniChem at EBI.