Dataset

Lincomycin; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF410503 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-UF410503
Version
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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
    CHEMBL1447 ChEMBL
    C06812 KEGG Ligand
    J22.137F Nikkaji
    1582 DrugCentral
    DB01627 DrugBank
    DTXSID3023215 EPA CompTox Dashboard
    30146 Brenda
    LINCOMYCIN HYDROCHLORIDE clinicaltrials
    LINCOCIN clinicaltrials
    LINCOMYCIN clinicaltrials
    LINCOCIN rxnorm
    LINCOMYCIN HYDROCHLORIDE rxnorm
    LINCOMYCIN rxnorm
    50335522 BindingDB
    LINCOMYCIN DailyMed
    10941 Guide to Pharmacology
    3000540 PubChem
    60027594 NMRShiftDB
    PD013336 ProbesDrugs
    lincomycin Atlas
    3QB PDBe
    24702559 PubChem: Thomson Pharma
    LSM-5602 LINCS
    SCHEMBL4010 SureChEMBL
    154-21-2 ACToR
    BOD072YW0F FDA SRS
    31240769 eMolecules
    26423691 eMolecules
    MCULE-4676929559 Mcule
    6472 ChEBI
    lincomycin DailyMed
    ZINC000003982483 ZINC
    MTBLC6472 Metabolights
    40359 Brenda
    The data in this table is sourced from UniChem at EBI.