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Mitragynine
SpectraBase Compound ID ADuHCYZ5mVO
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
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 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