| SpectraBase Compound ID | 42VU69uH57Z |
|---|---|
| InChI | InChI=1S/4C15H12N2OS/c1-2-16-15-10-6-3-4-9-13(10)19-14-11(17-15)7-5-8-12(14)18;1-2-16-15-10-6-3-4-8-12(10)19-13-9-5-7-11(18)14(13)17-15;1-2-16-15-11-5-3-4-6-13(11)19-14-8-7-10(18)9-12(14)17-15;1-2-16-15-11-5-3-4-6-13(11)19-14-9-10(18)7-8-12(14)17-15/h4*3-9H,1-2H2,(H-,16,17,18)/p+4 |
| InChIKey | WVRZMXFLNMCBND-UHFFFAOYSA-R |
| Mol Weight | 269.34 g/mol |
| Molecular Formula | C15H13N2OS |
| Exact Mass | 269.074859 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 9kU9hmZzSij |
|---|---|
| Name | Quetiapine-M (HO-glucuronide) MS3_2 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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 |