| SpectraBase Compound ID | 373YAlrkXTl |
|---|---|
| InChI | InChI=1S/5C18H23NO5/c1-3-23-18(22)16-14-9-6-12(19(14)2)10-15(16)24-17(21)11-4-7-13(20)8-5-11;2*1-3-23-18(22)16-14-8-7-12(19(14)2)10-15(16)24-17(21)11-5-4-6-13(20)9-11;2*1-3-23-18(22)16-13-9-8-11(19(13)2)10-15(16)24-17(21)12-6-4-5-7-14(12)20/h4-5,7-8,12,14-16,20H,3,6,9-10H2,1-2H3;2*4-6,9,12,14-16,20H,3,7-8,10H2,1-2H3;2*4-7,11,13,15-16,20H,3,8-10H2,1-2H3 |
| InChIKey | RWBPRZPYDBRLSX-UHFFFAOYSA-N |
| Mol Weight | 333.38 g/mol |
| Molecular Formula | C18H23NO5 |
| Exact Mass | 333.157623 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | FcY0cThG0DU |
|---|---|
| Name | Cocaethylene-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. |
| 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 |