| SpectraBase Spectrum ID |
2nYcyyMaPD4 |
| Name |
Vortioxetine MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-270.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H18NS |
| InChI |
InChI=1S/C16H18NS/c1-12-9-10-15(13(2)11-12)18-16-8-6-5-7-14(16)17(3)4/h5-11H,3H2,1-2,4H3/q+1 |
| InChIKey |
OQANWLBHJBOTSJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=1C(=C(C=CC1)[N+](=C)C)SC=1C(=CC(=CC1)C)C |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
