| SpectraBase Spectrum ID |
EXxICACW9pm |
| Name |
Mitragynine-M (9-O-demethyl-16-COOH-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 371.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H26N2O4 |
| InChI |
InChI=1S/C21H26N2O4/c1-3-12-10-23-8-7-13-19-16(5-4-6-18(19)24)22-20(13)17(23)9-14(12)15(11-27-2)21(25)26/h4-6,11-12,14,17,22,24H,3,7-10H2,1-2H3,(H,25,26)/b15-11+ |
| InChIKey |
LTONUGVMYBXUKE-RVDMUPIBSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C=2C3CC(C(CN3CCC2C2=C(C=CC=C12)O)CC)\C(=C/OC)C(=O)O |
| 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 |
