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Prazosin-M (O-demethyl- ring cleavage HOOC-) MS3_1
SpectraBase Compound ID vyQ09tPXzA
InChI InChI=1S/C13H17N5O2/c1-20-11-6-8-9(7-10(11)19)16-13(17-12(8)14)18-4-2-15-3-5-18/h6-7,15,19H,2-5H2,1H3,(H2,14,16,17)/p+1
InChIKey MKTQELOCHJIZRT-UHFFFAOYSA-O
Mol Weight 276.32 g/mol
Molecular Formula C13H18N5O2
Exact Mass 276.14605 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6pY2BotRCa
Name Prazosin-M (O-demethyl- ring cleavage HOOC-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-290.00]
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InChI InChI=1S/C13H17N5O2/c1-20-11-6-8-9(7-10(11)19)16-13(17-12(8)14)18-4-2-15-3-5-18/h6-7,15,19H,2-5H2,1H3,(H2,14,16,17)/p+1
InChIKey MKTQELOCHJIZRT-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH2+]1CCN(C=2N=C3C=C(C(=CC3=C(N2)N)OC)O)CC1
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