| SpectraBase Compound ID | 8WAZ4Zq3CH3 |
|---|---|
| InChI | InChI=1S/3C20H26N2O4/c1-13(8-9-14-6-4-3-5-7-14)22-12-18(24)15-10-16(20(21)25)17(23)11-19(15)26-2;1-13(8-9-14-6-4-3-5-7-14)22-12-17(23)15-10-16(20(21)25)19(24)18(11-15)26-2;1-13(8-9-14-6-4-3-5-7-14)22-12-17(24)15-10-11-16(23)18(20(21)25)19(15)26-2/h3-7,10-11,13,18,22-24H,8-9,12H2,1-2H3,(H2,21,25);2*3-7,10-11,13,17,22-24H,8-9,12H2,1-2H3,(H2,21,25) |
| InChIKey | VSCDMJFMGDQXFG-UHFFFAOYSA-N |
| Mol Weight | 358.44 g/mol |
| Molecular Formula | C20H26N2O4 |
| Exact Mass | 358.189257 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 4mTe7yDUkl7 |
|---|---|
| Name | Labetalol-M (HO-methoxy-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 | C20H26N2O4 |
| 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 |