Dataset

Lincomycin; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF410551 contains the MS2 mass spectrum of Lincomycin with the InChIkey OJMMVQQUTAEWLP-KIDUDLJLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
InChI Key OJMMVQQUTAEWLP-KIDUDLJLSA-N
Molecular Formula C18H34N2O6S
Exact Mass 406.214 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-UFZ-UF410551
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01627 drugbank
    CHEBI:6472 chebi
    3QB rcsb_pdb
    CHEMBL1447 chembl
    4010 surechembl
    3000540 pubchem
    PD013336 probes_and_drugs
    30146 brenda
    40359 brenda
    BOD072YW0F fdasrs
    422067 bindingdb
    50920613 bindingdb
    1582 drugcentral
    The data in this table is sourced from UniChem at EBI.