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Amlodipine-M (dehydro-deamino-HOOC-) MS2
SpectraBase Compound ID EookN7B94RS
InChI InChI=1S/C20H20ClNO7/c1-4-29-20(26)18-14(9-28-10-15(23)24)22-11(2)16(19(25)27-3)17(18)12-7-5-6-8-13(12)21/h5-8H,4,9-10H2,1-3H3,(H,23,24)
InChIKey WYLSEDHKQJBUIA-UHFFFAOYSA-N
Mol Weight 421.83 g/mol
Molecular Formula C20H20ClNO7
Exact Mass 421.09283 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID ICJT2DHj9xa
Name Amlodipine-M (dehydro-deamino-HOOC-glucuronide) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-450.00]
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Formula C20H20ClNO7
InChI InChI=1S/C20H20ClNO7/c1-4-29-20(26)18-14(9-28-10-15(23)24)22-11(2)16(19(25)27-3)17(18)12-7-5-6-8-13(12)21/h5-8H,4,9-10H2,1-3H3,(H,23,24)
InChIKey WYLSEDHKQJBUIA-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(COCC1=C(C(=C(C(C)=N1)C(=O)OC)C1=C(Cl)C=CC=C1)C(=O)OCC)=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