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Amitriptyline-A (-C2H7N)
SpectraBase Compound ID 24JJfGMUMyG
InChI InChI=1S/C18H16/c1-2-7-18-16-10-5-3-8-14(16)12-13-15-9-4-6-11-17(15)18/h2-11H,1,12-13H2
InChIKey WYNDAXXIOHYNBD-UHFFFAOYSA-N
Mol Weight 232.33 g/mol
Molecular Formula C18H16
Exact Mass 232.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOxAx1zOOJv
Name Amitriptylinoxide -(CH3)2NOH @
CAS Registry Number 4317-14-0
Classification Antidepressant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 232.125200515 u
Formula C18H16
InChI InChI=1S/C18H16/c1-2-7-18-16-10-5-3-8-14(16)12-13-15-9-4-6-11-17(15)18/h2-11H,1,12-13H2
InChIKey WYNDAXXIOHYNBD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 232.326 g/mol
SMILES c12c(CCc3c(C2=CC=C)cccc3)cccc1
SPLASH splash10-0gc0-2690000000-717b3f2f8f86da31fd50
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: P G U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Amitriptyline-M (N-oxide) -(CH3)2NOH
Technique GC/MS
Wiley ID MMPW6e_45