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Mesembrine-M (HO-) isomer-1 2AC
SpectraBase Compound ID 2QfDOg64DMr
InChI InChI=1S/C21H27NO6/c1-13(23)27-16-6-7-21(8-9-22(3)19(21)12-16)15-10-17(25-4)20(26-5)18(11-15)28-14(2)24/h6,10-11,19H,7-9,12H2,1-5H3
InChIKey PITYLQARKQMLRX-UHFFFAOYSA-N
Mol Weight 389.45 g/mol
Molecular Formula C21H27NO6
Exact Mass 389.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97bsuYKJja1
Name Mesembrine-M (HO-) isomer-1 2AC
Classification Alkaloid
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Exact Mass 389.183837587 u
Formula C21H27NO6
InChI InChI=1S/C21H27NO6/c1-13(23)27-16-6-7-21(8-9-22(3)19(21)12-16)15-10-17(25-4)20(26-5)18(11-15)28-14(2)24/h6,10-11,19H,7-9,12H2,1-5H3
InChIKey PITYLQARKQMLRX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 389.448 g/mol
SMILES C1C2N(C)CCC2(c2cc(c(c(OC)c2)OC)OC(C)=O)CC=C1OC(=O)C
SPLASH splash10-001i-2649000000-fa2aa34212c045690f18
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.
Sample Preparation Procedure Detected: UGLUCSPE
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_9010