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Sildenafil-M (UK-150.564) MS2
SpectraBase Compound ID N5j5FNISgl
InChI InChI=1S/C20H28N6O4S/c1-5-7-15-17-18(26(4)25-15)20(27)24-19(23-17)14-12-13(8-9-16(14)30-6-2)31(28,29)22-11-10-21-3/h8-9,12,21-22H,5-7,10-11H2,1-4H3,(H,23,24,27)
InChIKey DBBKIQJKMPUJFA-UHFFFAOYSA-N
Mol Weight 448.54 g/mol
Molecular Formula C20H28N6O4S
Exact Mass 448.189275 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9zvHzb5SDY
Name Sildenafil-M (UK-150.564) MS2
Comments F: ITMS + c ESI d w Full ms2 449.10
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Formula C20H28N6O4S
InChI InChI=1S/C20H28N6O4S/c1-5-7-15-17-18(26(4)25-15)20(27)24-19(23-17)14-12-13(8-9-16(14)30-6-2)31(28,29)22-11-10-21-3/h8-9,12,21-22H,5-7,10-11H2,1-4H3,(H,23,24,27)
InChIKey DBBKIQJKMPUJFA-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C(C=2N(N=C(C2N=C1C=1C(=CC=C(S(NCCNC)(=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