| SpectraBase Spectrum ID |
AjZ0a57yQKd |
| Name |
Rotigotine-M (sulfate) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-310.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H23NS/c1-2-12-20(13-11-19-8-5-14-21-19)18-10-9-16-6-3-4-7-17(16)15-18/h3-10,14,18H,2,11-13,15H2,1H3/p+1 |
| InChIKey |
HCDOJBFLTDRASK-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](C1C=CC=2C(=CC=CC2)C1)(CCC1=CC=CS1)CCC |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
