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Eprosartan
SpectraBase Compound ID 8ARmENIEY9L
InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
InChIKey OROAFUQRIXKEMV-LDADJPATSA-N
Mol Weight 424.52 g/mol
Molecular Formula C23H24N2O4S
Exact Mass 424.145678 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 438VnUOve2D
Name Eprosartan-M (glucuronide) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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Formula C23H24N2O4S
InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
InChIKey OROAFUQRIXKEMV-LDADJPATSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C1=CC=C(CN2C(=NC=C2\C=C\(C(O)=O)CC2=CC=CS2)CCCC)C=C1)=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