Dataset

Desosaminylazithromycin; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01152301 contains the MS2 mass spectrum of Desosaminylazithromycin with the InChIkey PXDYILJJHOVNLO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3
SMILES CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)O)C)OC2C(C(CC(O2)C)N(C)C)O)(C)O)C)C)C)O)(C)O
InChI Key PXDYILJJHOVNLO-UHFFFAOYSA-N
Molecular Formula C30H58N2O9
Exact Mass 590.414 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-EQ01152301
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Maintainer
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MetadataPublished 2024-05-08
Related Molecule
  • 11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    22344176 surechembl
    14038093 pubchem
    The data in this table is sourced from UniChem at EBI.