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Losartan-M (HO-alkyl) isomer 1 MS3_2
SpectraBase Compound ID ATYvyOJkEcd
InChI InChI=1S/C22H21N6O/c1-2-3-8-21-23-13-18(15-29)28(21)14-16-9-11-17(12-10-16)19-6-4-5-7-20(19)22-24-26-27-25-22/h2,4-7,9-12,29H,1,3,8,14-15H2,(H,24,25,26,27)/q+1
InChIKey ULPMITVORWMOGY-UHFFFAOYSA-N
Mol Weight 385.45 g/mol
Molecular Formula C22H21N6O
Exact Mass 385.177684 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HdbYL8tnWnr
Name Losartan-M (HO-alkyl) isomer 1 MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [95.00-400.00]
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InChI InChI=1S/C22H21N6O/c1-2-3-8-21-23-13-18(15-29)28(21)14-16-9-11-17(12-10-16)19-6-4-5-7-20(19)22-24-26-27-25-22/h2,4-7,9-12,29H,1,3,8,14-15H2,(H,24,25,26,27)/q+1
InChIKey ULPMITVORWMOGY-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1N=NN=C1C1=C(C2=CC=C(CN3[C+](N=C=C3CO)CCC=C)C=C2)C=CC=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 ms3
Technique ITMS