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Clarithromycin-M (HO-declad-) MS2
SpectraBase Compound ID Cl4Tf61AisD
InChI InChI=1S/C30H55NO11/c1-14-13-29(7,39-11)25(42-28-23(35)20(31(9)10)12-15(2)40-28)17(4)22(34)18(5)27(37)41-26(19(6)32)30(8,38)24(36)16(3)21(14)33/h14-20,22-26,28,32,34-36,38H,12-13H2,1-11H3
InChIKey FWVJXQUNOACRAH-UHFFFAOYSA-N
Mol Weight 605.8 g/mol
Molecular Formula C30H55NO11
Exact Mass 605.377512 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AfCEp3qua6L
Name Clarithromycin-M (HO-declad-) MS2
Comments F: ITMS + c ESI d w Full ms2 606.10
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Formula C30H55NO11
InChI InChI=1S/C30H55NO11/c1-14-13-29(7,39-11)25(42-28-23(35)20(31(9)10)12-15(2)40-28)17(4)22(34)18(5)27(37)41-26(19(6)32)30(8,38)24(36)16(3)21(14)33/h14-20,22-26,28,32,34-36,38H,12-13H2,1-11H3
InChIKey FWVJXQUNOACRAH-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1C(OC2C(CC(C(C(C(C(C(OC(C(C(C2C)O)C)=O)C(C)O)(O)C)O)C)=O)C)(OC)C)OC(CC1N(C)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