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Azithromycine MS3_2
SpectraBase Compound ID 1ihWlusLMA4
InChI InChI=1S/C22H44NO7/c1-9-16-22(7,29)19(26)15(5)23(8)11-12(2)10-21(6,28)18(25)13(3)17(24)14(4)20(27)30-16/h12-17,19-20,24-29H,9-11H2,1-8H3/q+1
InChIKey PCLVIHRCOZNZGH-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C22H44NO7
Exact Mass 434.311778 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FgSU5DpgoiI
Name Azithromycine-M/artifact (591) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [105.00-445.00]
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InChI InChI=1S/C22H44NO7/c1-9-16-22(7,29)19(26)15(5)23(8)11-12(2)10-21(6,28)18(25)13(3)17(24)14(4)20(27)30-16/h12-17,19-20,24-29H,9-11H2,1-8H3/q+1
InChIKey PCLVIHRCOZNZGH-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1C(C(OC(C(C(C(N(CC(CC([C+](C1C)O)(C)O)C)C)C)O)(C)O)CC)O)C
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS