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Amitriptyline-M (OH) AC
SpectraBase Compound ID 12lOf2B1w0Y
InChI InChI=1S/C22H25NO2/c1-16(24)25-22-15-17-9-4-5-10-18(17)19(13-8-14-23(2)3)20-11-6-7-12-21(20)22/h4-7,9-13,22H,8,14-15H2,1-3H3/b19-13-
InChIKey WCPCGZAZEPZAFI-UYRXBGFRSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tsXsqPK9CL
Name Amitriptyline-M (HO-) AC @
Classification Antidepressant
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Exact Mass 335.188529047 u
Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c1-16(24)25-22-15-17-9-4-5-10-18(17)19(13-8-14-23(2)3)20-11-6-7-12-21(20)22/h4-7,9-13,22H,8,14-15H2,1-3H3/b19-13-
InChIKey WCPCGZAZEPZAFI-UYRXBGFRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 335.447 g/mol
SMILES c12c(CC(c3c(cccc3)\C1=C\CCN(C)C)OC(=O)C)cccc2
SPLASH splash10-0a4i-9120000000-c0129a2d53056726af32
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: UGLUCAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Amitriptylinoxide-M (deoxo-HO-) AC
Technique GC/MS
Wiley ID MMPW6e_44