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Methylecgonidine
SpectraBase Compound ID 3g2At9YzW0s
InChI InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h3,5,7-9H,4,6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKey YAAXTUJIWSRZPN-IWSPIJDZSA-N
Mol Weight 181.23 g/mol
Molecular Formula C10H15NO2
Exact Mass 181.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2niSCu5d7ia
Name Methylecgonidine
CAS Registry Number 43021-26-7
Classification Cocaine metabolite, artifact
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 181.110278725 u
Formula C10H15NO2
InChI InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h3,5,7-9H,4,6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKey YAAXTUJIWSRZPN-IWSPIJDZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 181.235 g/mol
Nominal Mass 181 u
Quality 999
Retention Index 1379
SMILES [C@@]12([C@](C(OC)=O)(C=C[C@@](N2C)(CC1)[H])[H])[H]
SPLASH splash10-0udi-4900000000-ef82fc0fb269c9db57f7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Anhydroecgonine methyl ester methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
Technique GC/MS
Wiley ID DD2024_031208