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Ritonavir-M (2) MS3_2
SpectraBase Compound ID v0ZS7scvvr
InChI InChI=1S/C13H21N3OS/c1-9(2)6-14-13(17)16(5)7-11-8-18-12(15-11)10(3)4/h6,8-10H,7H2,1-5H3/p+1/b14-6-
InChIKey XCZLDFVUSOZHLA-NSIKDUERSA-O
Mol Weight 268.4 g/mol
Molecular Formula C13H22N3OS
Exact Mass 268.148359 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8zrfXAkmcy
Name Ritonavir-M (2) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00]
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InChI InChI=1S/C13H21N3OS/c1-9(2)6-14-13(17)16(5)7-11-8-18-12(15-11)10(3)4/h6,8-10H,7H2,1-5H3/p+1/b14-6-
InChIKey XCZLDFVUSOZHLA-NSIKDUERSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH+](C(=O)N(CC=1N=C(SC1)C(C)C)C)=CC(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 ms3
Technique ITMS