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Amitryptiline-M (HO-) isomer 2 MS3_1
SpectraBase Compound ID DOoNzGcykeF
InChI InChI=1S/C18H16O/c1-2-5-18-16-7-4-3-6-13(16)8-9-14-12-15(19)10-11-17(14)18/h3-7,10-12H,1-2,8-9H2/p+1/b18-5+
InChIKey ADIFWDROELDGHT-BLLMUTORSA-O
Mol Weight 249.33 g/mol
Molecular Formula C18H17O
Exact Mass 249.12794 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID ER8S7i5LoIH
Name Nortriptyline-M (HO-glucuronide) isomer 2 MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-260.00]
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InChI InChI=1S/C18H16O/c1-2-5-18-16-7-4-3-6-13(16)8-9-14-12-15(19)10-11-17(14)18/h3-7,10-12H,1-2,8-9H2/p+1/b18-5+
InChIKey ADIFWDROELDGHT-BLLMUTORSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC=1C=C2C(\C(=C\C[CH2+])C3=CC=CC=C3CC2)=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 ms3
Technique ITMS