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Tiropramide-M (N-deethyl-) MS2
SpectraBase Compound ID EtyoLrGO9iT
InChI InChI=1S/C26H37N3O3/c1-4-17-29(18-5-2)26(31)24(28-25(30)22-10-8-7-9-11-22)20-21-12-14-23(15-13-21)32-19-16-27-6-3/h7-15,24,27H,4-6,16-20H2,1-3H3,(H,28,30)
InChIKey CCAHAJNNYXQYDQ-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C26H37N3O3
Exact Mass 439.283492 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID eeWcmV8fw8
Name Tiropramide-M (N-deethyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-465.00]
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Formula C26H37N3O3
InChI InChI=1S/C26H37N3O3/c1-4-17-29(18-5-2)26(31)24(28-25(30)22-10-8-7-9-11-22)20-21-12-14-23(15-13-21)32-19-16-27-6-3/h7-15,24,27H,4-6,16-20H2,1-3H3,(H,28,30)
InChIKey CCAHAJNNYXQYDQ-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(CCOC=1C=CC(CC(C(N(CCC)CCC)=O)NC(=O)C=2C=CC=CC2)=CC1)CC
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