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Erythromycin-M/artifact (O-demethyl-) MS2
SpectraBase Compound ID LvbOElKu2Co
InChI InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3
InChIKey MWFRKHPRXPSWNT-UHFFFAOYSA-N
Mol Weight 719.9 g/mol
Molecular Formula C36H65NO13
Exact Mass 719.445591 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 704PeKlDyy
Name Erythromycin-M/artifact (O-demethyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 720.10
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InChI InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3
InChIKey MWFRKHPRXPSWNT-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1C(CC(OC1OC1C(C(C(C(OC(C(C(C(C(C(CC1(O)C)C)=O)C)O)(C)O)CC)=O)C)OC1CC(C(C(O1)C)O)(C)O)C)C)N(C)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 ms2
Technique ITMS