| SpectraBase Compound ID | 14D5ZfaB4Q8 |
|---|---|
| InChI | InChI=1S/4C19H19N3O3S/c23-15-6-3-5-14-18(15)26-16-7-2-1-4-13(16)19(20-14)22-10-8-21(9-11-22)12-17(24)25;23-14-5-3-7-16-18(14)20-19(13-4-1-2-6-15(13)26-16)22-10-8-21(9-11-22)12-17(24)25;23-13-5-6-17-15(11-13)20-19(14-3-1-2-4-16(14)26-17)22-9-7-21(8-10-22)12-18(24)25;23-13-5-6-15-17(11-13)26-16-4-2-1-3-14(16)19(20-15)22-9-7-21(8-10-22)12-18(24)25/h2*1-7,23H,8-12H2,(H,24,25);2*1-6,11,23H,7-10,12H2,(H,24,25) |
| InChIKey | SIUDODRRHUFYOU-UHFFFAOYSA-N |
| Mol Weight | 369.44 g/mol |
| Molecular Formula | C19H19N3O3S |
| Exact Mass | 369.114713 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | HjzHrVHA24D |
|---|---|
| Name | Quetiapine-M (N-CH2-COOH-HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 370.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H19N3O3S |
| 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 | ms2 |
| Technique | ITMS |