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Protriptyline-M (di-HO-methoxy-) MS2
SpectraBase Compound ID Cp8PHIZf6KF
InChI InChI=1S/C20H23NO2/c1-21-13-5-8-16-15-7-4-3-6-14(15)9-10-18-17(16)11-12-19(23-2)20(18)22/h3-4,6-7,9-12,16,21-22H,5,8,13H2,1-2H3
InChIKey HYSTTYBSEDUPMV-UHFFFAOYSA-N
Mol Weight 309.41 g/mol
Molecular Formula C20H23NO2
Exact Mass 309.172879 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8jY7R3JLia9
Name Protriptyline-M (di-HO-methoxy-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-335.00]
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Formula C20H23NO2
InChI InChI=1S/C20H23NO2/c1-21-13-5-8-16-15-7-4-3-6-14(15)9-10-18-17(16)11-12-19(23-2)20(18)22/h3-4,6-7,9-12,16,21-22H,5,8,13H2,1-2H3
InChIKey HYSTTYBSEDUPMV-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC=1C2=C(C(CCCNC)C=3C(C=C2)=CC=CC3)C=CC1OC
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