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Trospium-M (HO-) MS2
SpectraBase Compound ID Cq3Odzbwyu3
InChI InChI=1S/C25H29NO4/c27-22-12-8-19(9-13-22)25(29,18-6-2-1-3-7-18)24(28)30-23-16-20-10-11-21(17-23)26(20)14-4-5-15-26/h1-3,6-9,12-13,20-21,23,29H,4-5,10-11,14-17H2/p+1/t20-,21+,23?,25?
InChIKey MPAPHUJYJNWFQI-UHFFFAOYSA-O
Mol Weight 408.52 g/mol
Molecular Formula C25H30NO4
Exact Mass 408.217483 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CirXQiTWytj
Name Trospium-M (HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 408.10
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Formula C25H30NO4
InChI InChI=1S/C25H29NO4/c27-22-12-8-19(9-13-22)25(29,18-6-2-1-3-7-18)24(28)30-23-16-20-10-11-21(17-23)26(20)14-4-5-15-26/h1-3,6-9,12-13,20-21,23,29H,4-5,10-11,14-17H2/p+1/t20-,21+,23?,25?
InChIKey MPAPHUJYJNWFQI-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(C1=CC=C(C=C1)O)(C1=CC=CC=C1)C(OC1C[C@@]2(CC[C@](C1)([N+]21CCCC1)[H])[H])=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 ms2
Technique ITMS