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Vardenafil-M (HO-) MS2
SpectraBase Compound ID 3PATW409gHb
InChI InChI=1S/C23H32N6O5S/c1-5-8-19-24-15(4)21-23(31)25-22(26-29(19)21)17-13-16(9-10-18(17)34-7-3)35(32,33)28-12-11-27(6-2)20(30)14-28/h9-10,13,20,30H,5-8,11-12,14H2,1-4H3,(H,25,26,31)
InChIKey XNNCJENEQNPUFR-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C23H32N6O5S
Exact Mass 504.215489 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FIB2yuJ8diZ
Name Vardenafil-M (HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 505.30
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Formula C23H32N6O5S
InChI InChI=1S/C23H32N6O5S/c1-5-8-19-24-15(4)21-23(31)25-22(26-29(19)21)17-13-16(9-10-18(17)34-7-3)35(32,33)28-12-11-27(6-2)20(30)14-28/h9-10,13,20,30H,5-8,11-12,14H2,1-4H3,(H,25,26,31)
InChIKey XNNCJENEQNPUFR-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C(C2=C(N=C(N2N=C1C1=C(C=CC(S(N2CCN(C(C2)O)CC)(=O)=O)=C1)OCC)CCC)C)=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 ms2
Technique ITMS