Debug Info

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_id
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KRZW2ZKFX1H
spectrumID
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KRZW2ZKFX1H
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N,N-Dimethyl-3,4-methylenedioxyamphetamine;N,N-dimethyl_mda
SpectraBase Compound ID Iu0Qf0NYBPi
InChI InChI=1S/C12H17NO2/c1-9(13(2)3)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9H,6,8H2,1-3H3
InChIKey JEJGUIDNYBAPGN-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRZW2ZKFX1H
Name N,N-Dimethyl-3,4-methylenedioxyamphetamine
CAS Registry Number 74698-50-3
Classification Methylenedioxyamphetamine designer drug, stimulant, entactogenic
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-9(13(2)3)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9H,6,8H2,1-3H3
InChIKey JEJGUIDNYBAPGN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 207.273 g/mol
Nominal Mass 207 u
Retention Index 1604
SMILES C1=2C(=CC(=CC2)CC(N(C)C)C)OCO1
SPLASH splash10-00di-9100000000-0d51bc59c1816e5513f2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms MDDM 3,4-Methylenedioxy-N,N-dimethylamphetamine N,N-Dimethyl-3,4-methylenedioxy-alpha-methylphenethylamine
Technique GC/MS
Wiley ID DD2024_034295
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