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Clarithromycin MS3_2
SpectraBase Compound ID 6Yg14aURnw2
InChI InChI=1S/C29H52NO9/c1-11-21-29(8,36)26(34)18(6)22(31)14(2)12-15(3)25(17(5)23(32)19(7)27(35)38-21)39-28-24(33)20(30(9)10)13-16(4)37-28/h14,16-21,23-26,28,32-34,36H,11-13H2,1-10H3/q+1
InChIKey IOLTYAKHDUWUDL-UHFFFAOYSA-N
Mol Weight 558.7 g/mol
Molecular Formula C29H52NO9
Exact Mass 558.364207 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JNTiBFKJiWl
Name Clarithromycin MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [140.00-570.00]
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InChI InChI=1S/C29H52NO9/c1-11-21-29(8,36)26(34)18(6)22(31)14(2)12-15(3)25(17(5)23(32)19(7)27(35)38-21)39-28-24(33)20(30(9)10)13-16(4)37-28/h14,16-21,23-26,28,32-34,36H,11-13H2,1-10H3/q+1
InChIKey IOLTYAKHDUWUDL-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1C(C(OC(C(C(C(C(C(C[C+](C(C1C)OC1OC(CC(C1O)N(C)C)C)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