Dataset

Trimethoprim; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO004152 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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO004152
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
    10931 gtopdb
    PD002101 probes_and_drugs
    AMXBPM CCDC
    155221 brenda
    189794 brenda
    252944 brenda
    503 brenda
    55818 brenda
    95248 brenda
    AN164J8Y0X fdasrs
    HMDB0014583 hmdb
    111212 bindingdb
    153513 bindingdb
    153525 bindingdb
    32320 bindingdb
    32321 bindingdb
    32322 bindingdb
    32327 bindingdb
    32329 bindingdb
    32331 bindingdb
    32333 bindingdb
    32335 bindingdb
    32340 bindingdb
    32341 bindingdb
    32342 bindingdb
    32343 bindingdb
    32515 bindingdb
    32538 bindingdb
    32561 bindingdb
    32585 bindingdb
    32623 bindingdb
    32642 bindingdb
    32665 bindingdb
    32688 bindingdb
    32711 bindingdb
    32734 bindingdb
    32966 bindingdb
    32981 bindingdb
    33011 bindingdb
    372397 bindingdb
    372406 bindingdb
    372415 bindingdb
    372424 bindingdb
    37401 bindingdb
    37418 bindingdb
    37434 bindingdb
    48413 bindingdb
    48429 bindingdb
    50020829 bindingdb
    50020839 bindingdb
    50026973 bindingdb
    50028494 bindingdb
    50028611 bindingdb
    50029712 bindingdb
    50032190 bindingdb
    50032277 bindingdb
    50032381 bindingdb
    50039194 bindingdb
    50039219 bindingdb
    50039245 bindingdb
    50039555 bindingdb
    50039562 bindingdb
    50041029 bindingdb
    50044689 bindingdb
    50046004 bindingdb
    50046035 bindingdb
    50048367 bindingdb
    50049326 bindingdb
    50049330 bindingdb
    50050317 bindingdb
    50050342 bindingdb
    50050967 bindingdb
    50050968 bindingdb
    50050987 bindingdb
    50053696 bindingdb
    50053788 bindingdb
    50053796 bindingdb
    50053860 bindingdb
    50053871 bindingdb
    50053890 bindingdb
    50054208 bindingdb
    50054210 bindingdb
    50054224 bindingdb
    50055941 bindingdb
    50055959 bindingdb
    50056372 bindingdb
    50056373 bindingdb
    50061405 bindingdb
    50061406 bindingdb
    50067404 bindingdb
    50080570 bindingdb
    50080611 bindingdb
    50080653 bindingdb
    50081980 bindingdb
    50084949 bindingdb
    50084976 bindingdb
    50084987 bindingdb
    50093603 bindingdb
    50093643 bindingdb
    50093676 bindingdb
    50093677 bindingdb
    50095794 bindingdb
    50095798 bindingdb
    50095800 bindingdb
    50102480 bindingdb
    50108275 bindingdb
    50109115 bindingdb
    50109312 bindingdb
    50109316 bindingdb
    50109344 bindingdb
    50114458 bindingdb
    50114470 bindingdb
    50117171 bindingdb
    50117190 bindingdb
    50117201 bindingdb
    50129650 bindingdb
    50129668 bindingdb
    50129677 bindingdb
    50137216 bindingdb
    50137259 bindingdb
    50137261 bindingdb
    50143641 bindingdb
    50143654 bindingdb
    50143669 bindingdb
    50143691 bindingdb
    50145859 bindingdb
    50145874 bindingdb
    50145876 bindingdb
    50145887 bindingdb
    50183848 bindingdb
    50183867 bindingdb
    50183896 bindingdb
    50195928 bindingdb
    50195942 bindingdb
    50195961 bindingdb
    50195985 bindingdb
    50200875 bindingdb
    50200880 bindingdb
    50200898 bindingdb
    50200969 bindingdb
    50230773 bindingdb
    50230793 bindingdb
    50230808 bindingdb
    50230812 bindingdb
    50233791 bindingdb
    50233797 bindingdb
    50233803 bindingdb
    50233806 bindingdb
    50233809 bindingdb
    50233811 bindingdb
    50254588 bindingdb
    50254653 bindingdb
    50254700 bindingdb
    50254714 bindingdb
    50259011 bindingdb
    50259015 bindingdb
    50259016 bindingdb
    50259029 bindingdb
    50259040 bindingdb
    50259044 bindingdb
    50259065 bindingdb
    50267648 bindingdb
    50267650 bindingdb
    50267655 bindingdb
    50267661 bindingdb
    50267688 bindingdb
    50267689 bindingdb
    50267696 bindingdb
    50268440 bindingdb
    50348131 bindingdb
    50348133 bindingdb
    50348135 bindingdb
    50376636 bindingdb
    50390161 bindingdb
    50390162 bindingdb
    50390163 bindingdb
    50390164 bindingdb
    50390165 bindingdb
    50498623 bindingdb
    50498624 bindingdb
    50498625 bindingdb
    50517772 bindingdb
    50517781 bindingdb
    50517790 bindingdb
    50531312 bindingdb
    50531313 bindingdb
    50590330 bindingdb
    50598994 bindingdb
    50599057 bindingdb
    50600574 bindingdb
    50600576 bindingdb
    50601009 bindingdb
    50601343 bindingdb
    50602089 bindingdb
    50602121 bindingdb
    50605764 bindingdb
    50605782 bindingdb
    50619681 bindingdb
    50621559 bindingdb
    50622371 bindingdb
    50622377 bindingdb
    50642329 bindingdb
    50642407 bindingdb
    50656112 bindingdb
    50656114 bindingdb
    50658033 bindingdb
    50676326 bindingdb
    50725135 bindingdb
    50725628 bindingdb
    50737578 bindingdb
    50738886 bindingdb
    50739459 bindingdb
    50754098 bindingdb
    50770493 bindingdb
    50770509 bindingdb
    50770510 bindingdb
    50772722 bindingdb
    50774683 bindingdb
    50774787 bindingdb
    50774816 bindingdb
    50774833 bindingdb
    50776085 bindingdb
    50777482 bindingdb
    50801193 bindingdb
    50801201 bindingdb
    50801207 bindingdb
    50808688 bindingdb
    50808713 bindingdb
    50808715 bindingdb
    50808720 bindingdb
    50813384 bindingdb
    50817027 bindingdb
    50817028 bindingdb
    50817035 bindingdb
    50860582 bindingdb
    50872937 bindingdb
    50872957 bindingdb
    50873002 bindingdb
    50876829 bindingdb
    50876843 bindingdb
    50876857 bindingdb
    50876946 bindingdb
    50877237 bindingdb
    50877253 bindingdb
    50877267 bindingdb
    50888283 bindingdb
    50888284 bindingdb
    50909560 bindingdb
    50909572 bindingdb
    50909586 bindingdb
    50909600 bindingdb
    50910584 bindingdb
    50920623 bindingdb
    50926800 bindingdb
    50944715 bindingdb
    50944725 bindingdb
    50987050 bindingdb
    50987052 bindingdb
    50990053 bindingdb
    50993708 bindingdb
    50993755 bindingdb
    51006490 bindingdb
    51020381 bindingdb
    51063235 bindingdb
    51094527 bindingdb
    51094555 bindingdb
    51108349 bindingdb
    51126009 bindingdb
    51126021 bindingdb
    51149348 bindingdb
    51185488 bindingdb
    51185501 bindingdb
    51243459 bindingdb
    51281593 bindingdb
    51281597 bindingdb
    51310422 bindingdb
    51310429 bindingdb
    51325024 bindingdb
    51344521 bindingdb
    51391978 bindingdb
    51391991 bindingdb
    51391996 bindingdb
    51392001 bindingdb
    51554912 bindingdb
    51566550 bindingdb
    57256 bindingdb
    57275 bindingdb
    57294 bindingdb
    988445 bindingdb
    Molport-001-826-685 molport
    2755 drugcentral
    The data in this table is sourced from UniChem at EBI.