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Maraviroc MS3_2
SpectraBase Compound ID 3QUuga40bkF
InChI InChI=1S/C16H19F2NO/c1-2-14(12-6-4-3-5-7-12)19-15(20)13-8-10-16(17,18)11-9-13/h3-7,13-14H,1-2,8-11H2/p+1
InChIKey XFJNDXRTKCJJAR-UHFFFAOYSA-O
Mol Weight 280.34 g/mol
Molecular Formula C16H20F2NO
Exact Mass 280.151296 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6pqvFBVtnk
Name Maraviroc MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-295.00]
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InChI InChI=1S/C16H19F2NO/c1-2-14(12-6-4-3-5-7-12)19-15(20)13-8-10-16(17,18)11-9-13/h3-7,13-14H,1-2,8-11H2/p+1
InChIKey XFJNDXRTKCJJAR-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N(C(C[CH2+])C1=CC=CC=C1)C(=O)C1CCC(CC1)(F)F
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