Dataset

Selamectin

This MassBank record with Accession MSBNK-Eawag-EQ01159251 contains the MS2 mass spectrum of Selamectin with the InChIkey AFJYYKSVHJGXSN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3
SMILES CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)O)OC)C)OC1C7CCCCC7
InChI Key AFJYYKSVHJGXSN-UHFFFAOYSA-N
Molecular Formula C43H63NO11
Exact Mass 769.440 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01159251
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:54:07.544070
MetadataModified 2025-02-09T09:54:07.741547
MetadataPublished 2024-01-16
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73228437 PubChem
PD065664 ProbesDrugs
HMDB0242663 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.