| SpectraBase Compound ID | 5GHu0zatxH1 |
|---|---|
| InChI | InChI=1S/4C21H25N3O3S/c25-13-15-27-14-12-23-8-10-24(11-9-23)21-16-4-1-2-7-19(16)28-20-17(22-21)5-3-6-18(20)26;25-13-15-27-14-12-23-8-10-24(11-9-23)21-16-4-1-2-6-18(16)28-19-7-3-5-17(26)20(19)22-21;25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-6-5-16(26)15-18(20)22-21;25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h2*1-7,25-26H,8-15H2;2*1-6,15,25-26H,7-14H2 |
| InChIKey | JEPQRKWIXKWENM-UHFFFAOYSA-N |
| Mol Weight | 399.51 g/mol |
| Molecular Formula | C21H25N3O3S |
| Exact Mass | 399.161663 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 42gFHASZjvj |
|---|---|
| Name | Quetiapine-M (HO-glucuronide) MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H25N3O3S |
| Ion Polarity | P |
| Ionization Type | ESI |
| 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 |