| SpectraBase Compound ID | 18V2MuaOVB8 |
|---|---|
| InChI | InChI=1S/3C22H28N2O5/c1-4-12-10-24-6-5-14-20-17(7-13(25)8-19(20)29-3)23-21(14)18(24)9-15(12)16(11-28-2)22(26)27;1-4-12-10-24-8-7-13-19-18(29-3)6-5-17(25)21(19)23-20(13)16(24)9-14(12)15(11-28-2)22(26)27;1-4-12-10-24-8-7-13-19-16(5-6-18(25)21(19)29-3)23-20(13)17(24)9-14(12)15(11-28-2)22(26)27/h7-8,11-12,15,18,23,25H,4-6,9-10H2,1-3H3,(H,26,27);5-6,11-12,14,16,23,25H,4,7-10H2,1-3H3,(H,26,27);5-6,11-12,14,17,23,25H,4,7-10H2,1-3H3,(H,26,27)/b16-11+;2*15-11+ |
| InChIKey | GDLRZSRTJUKLCN-WECMGNMCSA-N |
| Mol Weight | 400.48 g/mol |
| Molecular Formula | C22H28N2O5 |
| Exact Mass | 400.199822 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | EFzB1jbkvzo |
|---|---|
| Name | Mitragynine-M/artifact (16-COOH-HO-sulfate) MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-235.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C22H28N2O5 |
| 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 |