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Tiropramide-M (bis-N-deethyl-) MS2
SpectraBase Compound ID LsLlFA58ifO
InChI InChI=1S/C24H33N3O3/c1-3-15-27(16-4-2)24(29)22(26-23(28)20-8-6-5-7-9-20)18-19-10-12-21(13-11-19)30-17-14-25/h5-13,22H,3-4,14-18,25H2,1-2H3,(H,26,28)
InChIKey GYWZQCPVRPJTIJ-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C24H33N3O3
Exact Mass 411.252192 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LVQEUZuTCSe
Name Tiropramide-M (bis-N-deethyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-440.00]
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Formula C24H33N3O3
InChI InChI=1S/C24H33N3O3/c1-3-15-27(16-4-2)24(29)22(26-23(28)20-8-6-5-7-9-20)18-19-10-12-21(13-11-19)30-17-14-25/h5-13,22H,3-4,14-18,25H2,1-2H3,(H,26,28)
InChIKey GYWZQCPVRPJTIJ-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES NCCOC=1C=CC(CC(C(N(CCC)CCC)=O)NC(=O)C=2C=CC=CC2)=CC1
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