| SpectraBase Compound ID | 7sC7IbxiH0h |
|---|---|
| InChI | InChI=1S/10C19H24N2O5/c2*1-11(2-3-12-8-14(22)5-7-16(12)23)21-10-18(25)13-4-6-17(24)15(9-13)19(20)26;2*1-11(2-3-12-4-6-14(22)9-17(12)24)21-10-18(25)13-5-7-16(23)15(8-13)19(20)26;2*1-11(2-3-12-4-6-16(23)17(24)8-12)21-10-18(25)13-5-7-15(22)14(9-13)19(20)26;1-11(2-3-12-6-14(22)9-15(23)7-12)21-10-18(25)13-4-5-17(24)16(8-13)19(20)26;1-11(5-7-13-15(22)3-2-4-16(13)23)21-10-18(25)12-6-8-17(24)14(9-12)19(20)26;2*1-11(5-6-12-3-2-4-16(23)18(12)25)21-10-17(24)13-7-8-15(22)14(9-13)19(20)26/h7*4-9,11,18,21-25H,2-3,10H2,1H3,(H2,20,26);2-4,6,8-9,11,18,21-25H,5,7,10H2,1H3,(H2,20,26);2*2-4,7-9,11,17,21-25H,5-6,10H2,1H3,(H2,20,26) |
| InChIKey | IEKQXAPKFOUXHR-UHFFFAOYSA-N |
| Mol Weight | 360.41 g/mol |
| Molecular Formula | C19H24N2O5 |
| Exact Mass | 360.168522 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 89wEYRrMky |
|---|---|
| Name | Labetalol-M (di-HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 361.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H24N2O5 |
| 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 |