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Clindamycine-M (nor-) MS3_1
SpectraBase Compound ID KuuRYKUQZe1
InChI InChI=1S/C16H27ClN2O5/c1-3-4-9-5-10(18-6-9)16(23)19-12(8(2)17)15-14(22)13(21)11(20)7-24-15/h7-15,18,20-22H,3-6H2,1-2H3/p+1
InChIKey WUQHWNOCNAELQF-UHFFFAOYSA-O
Mol Weight 363.86 g/mol
Molecular Formula C16H28ClN2O5
Exact Mass 363.168675 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Lk8SpJr3M36
Name Clindamycine-M (nor-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-375.00]
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InChI InChI=1S/C16H27ClN2O5/c1-3-4-9-5-10(18-6-9)16(23)19-12(8(2)17)15-14(22)13(21)11(20)7-24-15/h7-15,18,20-22H,3-6H2,1-2H3/p+1
InChIKey WUQHWNOCNAELQF-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N(C(C1O[CH+]C(C(C1O)O)O)C(C)Cl)C(C1CC(CN1)CCC)=O
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 ms3
Technique ITMS