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Sildenafil-M (UK-150.564) MS3_2
SpectraBase Compound ID IlGBCKgQYuJ
InChI InChI=1S/C17H21N5O4S/c1-4-6-12-14-15(22(3)21-12)17(23)20-16(19-14)11-9-10(27(18,24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H2,18,24,25)(H,19,20,23)/p+1
InChIKey RXDHCHRRVRQYRM-UHFFFAOYSA-O
Mol Weight 392.45 g/mol
Molecular Formula C17H22N5O4S
Exact Mass 392.13925 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 14yIxOtv8wR
Name Sildenafil-M (nor-UK-150.564) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [95.00-405.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C17H21N5O4S/c1-4-6-12-14-15(22(3)21-12)17(23)20-16(19-14)11-9-10(27(18,24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H2,18,24,25)(H,19,20,23)/p+1
InChIKey RXDHCHRRVRQYRM-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH3+]S(C=1C=C(C2=NC3=C(C(N2)=O)N(C)N=C3CCC)C(=CC1)OCC)(=O)=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