| SpectraBase Spectrum ID |
7Q2EFaJllHH |
| Name |
Quetiapine-M (sulfoxide-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 400.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H26N3O3S |
| InChI |
InChI=1S/C21H26N3O3S/c25-14-16-27-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)28(26)20-8-4-2-6-18(20)22-21/h1-8,25-26H,9-16H2/q+1 |
| InChIKey |
XSATZZDLRLVMAH-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCCOCCN1CCN(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 |
