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Clarithromycin-M (N-demethyl-declad-) MS2
SpectraBase Compound ID J16FRv8zjGr
InChI InChI=1S/C29H53NO10/c1-11-20-29(8,36)24(34)16(4)21(31)14(2)13-28(7,37-10)25(17(5)22(32)18(6)26(35)39-20)40-27-23(33)19(30-9)12-15(3)38-27/h14-20,22-25,27,30,32-34,36H,11-13H2,1-10H3
InChIKey FVDOVQNVEPKVLO-UHFFFAOYSA-N
Mol Weight 575.7 g/mol
Molecular Formula C29H53NO10
Exact Mass 575.366947 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9O9rwKtuHN1
Name Clarithromycin-M (N-demethyl-declad-) MS2
Comments F: ITMS + c ESI d w Full ms2 576.10
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Formula C29H53NO10
InChI InChI=1S/C29H53NO10/c1-11-20-29(8,36)24(34)16(4)21(31)14(2)13-28(7,37-10)25(17(5)22(32)18(6)26(35)39-20)40-27-23(33)19(30-9)12-15(3)38-27/h14-20,22-25,27,30,32-34,36H,11-13H2,1-10H3
InChIKey FVDOVQNVEPKVLO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1C(OC2C(CC(C(C(C(C(C(OC(C(C(C2C)O)C)=O)CC)(O)C)O)C)=O)C)(OC)C)OC(CC1NC)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