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Amitriptyline-M (nor-di-oxo-) AC    @
SpectraBase Compound ID HNi4HOKCjKU
InChI InChI=1S/C21H19NO3/c1-14(23)22(2)13-7-12-15-16-8-3-5-10-18(16)20(24)21(25)19-11-6-4-9-17(15)19/h3-6,8-12H,7,13H2,1-2H3
InChIKey XNCHNIYEZCBAMT-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsfIz34JNGA
Name Amitriptyline-M (nor-di-oxo-) AC @
Classification Antidepressant
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Exact Mass 333.136493473 u
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c1-14(23)22(2)13-7-12-15-16-8-3-5-10-18(16)20(24)21(25)19-11-6-4-9-17(15)19/h3-6,8-12H,7,13H2,1-2H3
InChIKey XNCHNIYEZCBAMT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 333.387 g/mol
SMILES C(CCN(C(C)=O)C)=C1c2c(C(C(c3c1cccc3)=O)=O)cccc2
SPLASH splash10-014i-1290000000-7fc9d176e73e09af6c2f
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: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Nortriptyline-M (di-oxo-) AC
Technique GC/MS
Wiley ID MMPW6e_9705