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Milnacipran formyl artifact
SpectraBase Compound ID 57BOW83QHhE
InChI InChI=1S/C16H22N2O/c1-4-18(5-2)15(19)16(11-14(16)12-17-3)13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3
InChIKey DHFDYELJNJBYHQ-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C16H22N2O
Exact Mass 258.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ophw3feKf3
Name Milnacipran formyl artifact
Classification Antidepressant
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Exact Mass 258.173213335 u
Formula C16H22N2O
InChI InChI=1S/C16H22N2O/c1-4-18(5-2)15(19)16(11-14(16)12-17-3)13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3
InChIKey DHFDYELJNJBYHQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 258.365 g/mol
Related CAS Registry Number(s) 92623-85-3
SMILES c1(ccccc1)C1(C(C1)CN=C)C(=O)N(CC)CC
SPLASH splash10-0kk9-4920000000-ccc756037366d2061b49
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.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_8220