Dataset

Tiamulin

This MassBank record with Accession MSBNK-BAFG-CSL23111018755 contains the MS2 mass spectrum of Tiamulin with the InChIkey UURAUHCOJAIIRQ-UHFFFAOYSA-N.

Chemical Info

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-CSL23111018755
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T11:57:26.489249
MetadataModified 2024-01-11T11:57:26.651975
MetadataPublished 2023-11-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables