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(Z)-10,11-dihydro-5-[3-(methylamino)propylidene]-5H-dibenzo[a,d]cyclohepten-10-ol
SpectraBase Compound ID 3tXYyHAiYec
InChI InChI=1S/C19H21NO/c1-20-12-6-11-16-15-8-3-2-7-14(15)13-19(21)18-10-5-4-9-17(16)18/h2-5,7-11,19-21H,6,12-13H2,1H3/b16-11-
InChIKey VAGXZGJKNUNLHK-WJDWOHSUSA-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 CjVURovVX7w
Name Amitriptyline-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/c1-20-12-6-11-16-15-8-3-2-7-14(15)13-19(21)18-10-5-4-9-17(16)18/h2-5,7-11,19-21H,6,12-13H2,1H3/b16-11-
InChIKey VAGXZGJKNUNLHK-WJDWOHSUSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(CC\C=C/1C2=C(C(CC3=C1C=CC=C3)O)C=CC=C2)C
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