| SpectraBase Spectrum ID |
EVhBRSCWCVN |
| Name |
Quetiapine-M (O-dealkyl-HO-aryl) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 356.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H21N3O2S |
| InChI |
InChI=1S/C19H21N3O2S/c23-12-11-21-7-9-22(10-8-21)19-15-3-1-2-4-17(15)25-18-13-14(24)5-6-16(18)20-19/h1-6,13,23-24H,7-12H2 |
| InChIKey |
UFBUZEICONEKFB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCCN1CCN(C=2C3=C(SC=4C=C(C=CC4N2)O)C=CC=C3)CC1 |
| 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 |
ms2 |
| Technique |
ITMS |
