| SpectraBase Compound ID | FX3HJaggczo |
|---|---|
| InChI | InChI=1S/4C17H19NO4/c19-13-7-4-8-14(16(13)20)22-17(12-5-2-1-3-6-12)15-11-18-9-10-21-15;19-13-7-4-8-14(20)17(13)22-16(12-5-2-1-3-6-12)15-11-18-9-10-21-15;19-13-6-7-15(14(20)10-13)22-17(12-4-2-1-3-5-12)16-11-18-8-9-21-16;19-13-6-7-14(20)15(10-13)22-17(12-4-2-1-3-5-12)16-11-18-8-9-21-16/h1-8,15,17-20H,9-11H2;1-8,15-16,18-20H,9-11H2;2*1-7,10,16-20H,8-9,11H2 |
| InChIKey | VYZBUELRYBTQTO-UHFFFAOYSA-N |
| Mol Weight | 301.34 g/mol |
| Molecular Formula | C17H19NO4 |
| Exact Mass | 301.131408 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 1IonMK1VY00 |
|---|---|
| Name | Reboxetine-M (dealkyl-HO-glucuronide) isomer 2 MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C17H19NO4 |
| 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 |