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Mitragynine
SpectraBase Compound ID H7O47B34W2u
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-
InChIKey LELBFTMXCIIKKX-LGMDPLHJSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaxG1hjnrvA
Name Mitraciliatine
CAS Registry Number 4098-40-2
Classification Kratom alkaloid
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and 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-
InChIKey LELBFTMXCIIKKX-LGMDPLHJSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 398.503 g/mol
Nominal Mass 398 u
Quality 943
Retention Index 3289
SMILES C12C3=C(C=4C(N3)=CC=CC4OC)CCN2CC(C(C1)\C(C(OC)=O)=C\OC)CC
SPLASH splash10-0002-1579000000-f3c58bd43f2dd8de219c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl 2-(3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-\rmethoxyprop-2-enoate
Technique GC/MS
Wiley ID DD2024_005377