| SpectraBase Spectrum ID |
1FwCJjmhI8 |
| Name |
Mitragynine |
| CAS Registry Number |
4098-40-2 |
| Classification |
Alkaloid
Herbal drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
398.220557450 u |
| Formula |
C23H30N2O4 |
| InChI |
InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1 |
| InChIKey |
LELBFTMXCIIKKX-QVRQZEMUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
398.503 g/mol |
| SMILES |
c1ccc2[nH]c3c(c2c1OC)CCN1C[C@]([C@](C[C@@]31[H])(\C(C(OC)=O)=C/OC)[H])(CC)[H] |
| SPLASH |
splash10-03dj-3982000000-6efdc35a95d84ddaf43f |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7858 |
