Dataset

N-Desmethyl Clarithromycin; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU202002 contains the MS2 mass spectrum of N-Desmethyl Clarithromycin with the InChIkey CIJTVUQEURKBDL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3
SMILES CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(NC)C2O)C(C)(CC(C)C(=O)C(C)C(O)C1(C)O)OC
InChI Key CIJTVUQEURKBDL-UHFFFAOYSA-N
Molecular Formula C37H67NO13
Exact Mass 733.461 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-Athens_Univ-AU202002
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MetadataPublished 2015-12-03
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13923912 PubChem
    The data in this table is sourced from UniChem at EBI.