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Cabergoline artifact (-COOH) METFA
SpectraBase Compound ID ClXQy3agHir
InChI InChI=1S/C21H21F3N2O3/c1-3-7-25-10-13(19(27)29-2)8-15-14-5-4-6-16-18(14)12(9-17(15)25)11-26(16)20(28)21(22,23)24/h3-6,11,13,15,17H,1,7-10H2,2H3
InChIKey CXGCODSAPCQUFS-UHFFFAOYSA-N
Mol Weight 406.41 g/mol
Molecular Formula C21H21F3N2O3
Exact Mass 406.150427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKffEbGUQih
Name Cabergoline artifact (-COOH) METFA
Classification Dopamine antagonist
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Exact Mass 406.150427030 u
Formula C21H21N2O3F3
InChI InChI=1S/C21H21F3N2O3/c1-3-7-25-10-13(19(27)29-2)8-15-14-5-4-6-16-18(14)12(9-17(15)25)11-26(16)20(28)21(22,23)24/h3-6,11,13,15,17H,1,7-10H2,2H3
InChIKey CXGCODSAPCQUFS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 406.405 g/mol
SMILES c1ccc2c3c1C1C(Cc3c[n]2C(=O)C(F)(F)F)N(CC(C(=O)OC)C1)CC=C
SPLASH splash10-0zfr-3931100000-a6a85ae26cd97300967a
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_8196