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Trimethoxycocaine                   @
SpectraBase Compound ID 2ERRhrog291
InChI InChI=1S/C20H27NO7/c1-21-12-6-7-13(21)17(20(23)27-5)14(10-12)28-19(22)11-8-15(24-2)18(26-4)16(9-11)25-3/h8-9,12-14,17H,6-7,10H2,1-5H3
InChIKey QXCDXRYKFKIOPT-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C20H27NO7
Exact Mass 393.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOswg3LA7Ft
Name Trimethoxycocaine @
Classification Alkaloid Addictive drug
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Exact Mass 393.178752206 u
Formula C20H27NO7
InChI InChI=1S/C20H27NO7/c1-21-12-6-7-13(21)17(20(23)27-5)14(10-12)28-19(22)11-8-15(24-2)18(26-4)16(9-11)25-3/h8-9,12-14,17H,6-7,10H2,1-5H3
InChIKey QXCDXRYKFKIOPT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 393.436 g/mol
SMILES C12C(C(OC(c3cc(OC)c(c(c3)OC)OC)=O)CC(N1C)CC2)C(=O)OC
SPLASH splash10-001i-9812000000-359db177e8c8708954f6
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: UGLUCME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Cocaine-M (HO-di-methoxy-) ME
Technique GC/MS
Wiley ID MMPW6e_5678