Dataset

Tiamulin; LC-ESI-QTOF; MS2; 140 V

This MassBank record with Accession MSBNK-BAFG-CSL23111018753 contains the MS2 mass spectrum of Tiamulin with the InChIkey UURAUHCOJAIIRQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3
SMILES CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C
InChI Key UURAUHCOJAIIRQ-UHFFFAOYSA-N
Molecular Formula C28H47NO4S
Exact Mass 493.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111018753
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MetadataPublished 2023-11-10
Related Molecule
  • (4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-[2-(diethylamino)ethylsulfanyl]acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4517617 PubChem
    PD073630 ProbesDrugs
    SCHEMBL11146729 SureChEMBL
    J34.330G Nikkaji
    HMDB0257757 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.