| SpectraBase Spectrum ID |
JANqU2rZ27s |
| Name |
Quetiapine-M (O-dealkyl-sulfoxide-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 356.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H22N3O2S |
| InChI |
InChI=1S/C19H22N3O2S/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)25(24)18-8-4-2-6-16(18)20-19/h1-8,23-24H,9-14H2/q+1 |
| InChIKey |
AQRNKXHEEWRWFO-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCCN1CCN(C=2C3=C([S+](C4=C(N2)C=CC=C4)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 |
