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Doxazosin-M (7-HO-) MS2
SpectraBase Compound ID KBuiMUo1nUD
InChI InChI=1S/C23H25N5O6/c1-31-17-10-14-15(11-18(17)32-2)25-23(26-21(14)24)28-7-5-27(6-8-28)22(30)20-12-33-16-4-3-13(29)9-19(16)34-20/h3-4,9-11,20,29H,5-8,12H2,1-2H3,(H2,24,25,26)
InChIKey CAWNIHKSMVDTKO-UHFFFAOYSA-N
Mol Weight 467.48 g/mol
Molecular Formula C23H25N5O6
Exact Mass 467.180484 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7NZoPpUt4V
Name Doxazosin-M (7-HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 468.20
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Formula C23H25N5O6
InChI InChI=1S/C23H25N5O6/c1-31-17-10-14-15(11-18(17)32-2)25-23(26-21(14)24)28-7-5-27(6-8-28)22(30)20-12-33-16-4-3-13(29)9-19(16)34-20/h3-4,9-11,20,29H,5-8,12H2,1-2H3,(H2,24,25,26)
InChIKey CAWNIHKSMVDTKO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC2=C(OCC(C(N3CCN(C=4N=C5C(=C(N4)N)C=C(C(=C5)OC)OC)CC3)=O)O2)C=C1
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