For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cabergoline artifact (-COOH) ME
SpectraBase Compound ID DTIOTtJ7yGe
InChI InChI=1S/C19H22N2O2/c1-3-7-21-11-13(19(22)23-2)8-15-14-5-4-6-16-18(14)12(10-20-16)9-17(15)21/h3-6,10,13,15,17,20H,1,7-9,11H2,2H3
InChIKey IACRGBGBDYCBKO-UHFFFAOYSA-N
Mol Weight 310.4 g/mol
Molecular Formula C19H22N2O2
Exact Mass 310.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1h7OgzQZCzC
Name Cabergoline artifact (-COOH) ME
Classification Dopamine antagonist
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 310.168127954 u
Formula C19H22N2O2
InChI InChI=1S/C19H22N2O2/c1-3-7-21-11-13(19(22)23-2)8-15-14-5-4-6-16-18(14)12(10-20-16)9-17(15)21/h3-6,10,13,15,17,20H,1,7-9,11H2,2H3
InChIKey IACRGBGBDYCBKO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 310.397 g/mol
Related CAS Registry Number(s) 81409-90-7
SMILES c1c2c3c(cc1)[nH]cc3CC1C2CC(CN1CC=C)C(=O)OC
SPLASH splash10-0900-1943000000-de40fb698d8db2973142
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_8193