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Ecognine Methyl Ester
SpectraBase Compound ID 17XVtxtZnq3
InChI InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
InChIKey QIQNNBXHAYSQRY-UYXSQOIJSA-N
Mol Weight 199.25 g/mol
Molecular Formula C10H17NO3
Exact Mass 199.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIODHYKK07k
Name Ecgoninemethyl ester
CAS Registry Number 7143-09-1
Classification Cocaine metabolite, artifact, precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 199.120843408 u
Formula C10H17NO3
InChI InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
InChIKey QIQNNBXHAYSQRY-UYXSQOIJSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 199.250 g/mol
Nominal Mass 199 u
Quality 991
Retention Index 1465
SMILES O[C@@]1([C@@]([C@@]2(N([C@](C1)(CC2)[H])C)[H])(C(OC)=O)[H])[H]
SPLASH splash10-001m-9100000000-5d685714044c2ecd23ad
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Cocaine-M/A Methylecgonine
Technique GC/MS
Wiley ID DD2024_033205