Dataset

Selamectin; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01159252 contains the MS2 mass spectrum of Selamectin with the InChIkey AFJYYKSVHJGXSN-UHFFFAOYSA-N.

Chemical Information

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

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01159252
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MetadataPublished 2024-01-16
Related Molecule
  • 6'-cyclohexyl-24-hydroxy-21-hydroxyimino-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
    • 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.