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Cocaethylene-D3               @
SpectraBase Compound ID HJs1ROu1kJB
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/i2D3
InChIKey NMPOSNRHZIWLLL-BMSJAHLVSA-N
Mol Weight 320.4 g/mol
Molecular Formula C18H20D3NO4
Exact Mass 320.181538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GC36uxYJs
Name Cocaethylene-D3 @
Classification Local anesthetic Addictive drug
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Exact Mass 320.181538458 u
Formula C18H20D3NO4
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/i2D3
InChIKey NMPOSNRHZIWLLL-BMSJAHLVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 320.403 g/mol
SMILES c1(ccccc1)C(OC1CC2CCC(N2C([D])([D])[D])C1C(OCC)=O)=O
SPLASH splash10-000b-9510000000-e551f338e68161946f9b
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
Synonyms Cocaine-M (benzoylecgonine)-D3 ET Cocaine-M (cocaethylene)-D3
Technique GC/MS
Wiley ID MMPW6e_9331