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Maprotiline-M (nor-HO-)
SpectraBase Compound ID rVX0WGfCLI
InChI InChI=1S/C19H21NO/c20-11-5-10-19-16-8-3-1-6-13(16)15(12-18(19)21)14-7-2-4-9-17(14)19/h1-4,6-9,15,18,21H,5,10-12,20H2/t15-,18-,19+/m1/s1
InChIKey OTZIHLAFLDUING-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C19H21NO
Exact Mass 279.162314 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID BRewv191KUM
Name Maprotiline-M (nor-HO-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-305.00]
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Formula C19H21NO
InChI InChI=1S/C19H21NO/c20-11-5-10-19-16-8-3-1-6-13(16)15(12-18(19)21)14-7-2-4-9-17(14)19/h1-4,6-9,15,18,21H,5,10-12,20H2/t15-,18-,19+/m1/s1
InChIKey OTZIHLAFLDUING-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES O[C@@]1(C[C@]2(C3=C([C@]1(CCCN)C=1C2=CC=CC1)C=CC=C3)[H])[H]
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