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Prazosin-M (ring cleavage HOOC-) MS2
SpectraBase Compound ID ZkSJxIo0ed
InChI InChI=1S/C19H23N5O6/c1-29-14-9-11-12(10-15(14)30-2)21-19(22-17(11)20)24-7-5-23(6-8-24)18(28)13(25)3-4-16(26)27/h9-10H,3-8H2,1-2H3,(H,26,27)(H2,20,21,22)
InChIKey OMVDPWBSVYYLRN-UHFFFAOYSA-N
Mol Weight 417.42 g/mol
Molecular Formula C19H23N5O6
Exact Mass 417.164833 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID F848IYk69yW
Name Prazosin-M (O-demethyl-glucuronide) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00]
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InChI InChI=1S/C19H23N5O6/c1-29-14-9-11-12(10-15(14)30-2)21-19(22-17(11)20)24-7-5-23(6-8-24)18(28)13(25)3-4-16(26)27/h9-10H,3-8H2,1-2H3,(H,26,27)(H2,20,21,22)
InChIKey OMVDPWBSVYYLRN-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(CCC(C(N1CCN(C=2N=C3C(=C(N2)N)C=C(C(=C3)OC)OC)CC1)=O)=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