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Sildenafil-M (nor-) MS2
SpectraBase Compound ID eNOJ9McdPV
InChI InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28)
InChIKey UZTKBZXHEOVDRL-UHFFFAOYSA-N
Mol Weight 460.55 g/mol
Molecular Formula C21H28N6O4S
Exact Mass 460.189275 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Jq2Qf7bM0Fr
Name Sildenafil-M (nor-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-490.00]
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Formula C21H28N6O4S
InChI InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28)
InChIKey UZTKBZXHEOVDRL-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N1C(C2=C(N=C1C=1C=C(S(N3CCNCC3)(=O)=O)C=CC1OCC)C(=NN2C)CCC)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD