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Trospium MS2
SpectraBase Compound ID DhBWxQ9Pzuo
InChI InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23?
InChIKey OYYDSUSKLWTMMQ-UHFFFAOYSA-N
Mol Weight 392.52 g/mol
Molecular Formula C25H30NO3
Exact Mass 392.222569 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KNd4pkAsTOD
Name Trospium
CAS Registry Number 10405-02-4
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-420.00]
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Formula C25H29NO3
InChI InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23?
InChIKey OYYDSUSKLWTMMQ-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC(C1=CC=CC=C1)(C1=CC=CC=C1)C(OC1C[C@@]2(CC[C@](C1)([N+]21CCCC1)[H])[H])=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD