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Clarithromycin MS3_1
SpectraBase Compound ID KwQeEPT8bTk
InChI InChI=1S/C30H55NO10/c1-12-21-30(8,37)25(35)17(4)22(32)15(2)14-29(7,38-11)26(18(5)23(33)19(6)27(36)40-21)41-28-24(34)20(31(9)10)13-16(3)39-28/h15-21,23-26,28,33-35,37H,12-14H2,1-11H3/p+1
InChIKey QTLYNHBYTKOXTE-UHFFFAOYSA-O
Mol Weight 590.8 g/mol
Molecular Formula C30H56NO10
Exact Mass 590.390422 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID BlmjQQrED2q
Name Clarithromycin MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [150.00-605.00]
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InChI InChI=1S/C30H55NO10/c1-12-21-30(8,37)25(35)17(4)22(32)15(2)14-29(7,38-11)26(18(5)23(33)19(6)27(36)40-21)41-28-24(34)20(31(9)10)13-16(3)39-28/h15-21,23-26,28,33-35,37H,12-14H2,1-11H3/p+1
InChIKey QTLYNHBYTKOXTE-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [OH2+]C1C(C(OC(C(C(C(C(C(CC(C(C1C)OC1OC(CC(C1O)N(C)C)C)(OC)C)C)=O)C)O)(O)C)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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS