Dataset

Chlortetracycline; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA001822 contains the MS mass spectrum of Chlortetracycline with the InChIkey CYDMQBQPVICBEU-XRNKAMNCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1
SMILES NC(=O)C(=C(O)4)C(=O)C(O)(C(O)=1)C([H])(C(N(C)C)4)CC([H])(C(C)(O)2)C(C(=O)c(c(O)3)c(c(Cl)cc3)2)1
InChI Key CYDMQBQPVICBEU-XRNKAMNCSA-N
Molecular Formula C22H23ClN2O8
Exact Mass 478.114 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-WA001822
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol59115(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09093 drugbank
    CHEBI:27644 chebi
    LMPK07000004 lipidmaps
    CHEMBL404520 chembl
    27323552 surechembl
    3110 surechembl
    WCK1KIQ23Q fdasrs
    PD009058 probes_and_drugs
    20190 brenda
    8065 brenda
    92904 brenda
    Molport-002-509-899 molport
    624 drugcentral
    The data in this table is sourced from UniChem at EBI.