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Protriptyline-M (nor-HO-ring) MS2
SpectraBase Compound ID pU1cgvZDx1
InChI InChI=1S/C18H19NO/c19-12-4-8-15-14-6-2-1-5-13(14)10-11-17-16(15)7-3-9-18(17)20/h1-3,5-7,9-11,15,20H,4,8,12,19H2
InChIKey NNZLKJYONFPXEF-UHFFFAOYSA-N
Mol Weight 265.36 g/mol
Molecular Formula C18H19NO
Exact Mass 265.146664 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 331xcWJRlGL
Name Protriptyline-M (nor-HO-ring) MS2
Comments F: ITMS + c ESI d w Full ms2 266.10
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Formula C18H19NO
InChI InChI=1S/C18H19NO/c19-12-4-8-15-14-6-2-1-5-13(14)10-11-17-16(15)7-3-9-18(17)20/h1-3,5-7,9-11,15,20H,4,8,12,19H2
InChIKey NNZLKJYONFPXEF-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC=1C2=C(C(CCCN)C=3C(C=C2)=CC=CC3)C=CC1
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS