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Tolpropamine
SpectraBase Compound ID BN2JMh6WT3W
InChI InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
InChIKey CINROOONPHQHPO-UHFFFAOYSA-N
Mol Weight 253.39 g/mol
Molecular Formula C18H23N
Exact Mass 253.18305 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FNYa494MBGD
Name Tolpropamine
CAS Registry Number 5632-44-0
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-275.00]
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Formula C18H23N
InChI InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
InChIKey CINROOONPHQHPO-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES CC1=CC=C(C=C1)C(CCN(C)C)C1=CC=CC=C1
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