Debug Info

object
{15}
_id
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8Hrqzp88gDI
spectrumID
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8Hrqzp88gDI
cost
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specType
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131072
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dbLocation
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WDD1X:13059:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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SpectraBase Compound ID EgXhcXv6Edc
InChI InChI=1S/C17H15NO3/c1-12(18-10-13-5-3-2-4-6-13)17(19)14-7-8-15-16(9-14)21-11-20-15/h2-9H,10-11H2,1H3/b18-12+
InChIKey XAPZJUWNCZHETP-LDADJPATSA-N
Mol Weight 281.31 g/mol
Molecular Formula C17H15NO3
Exact Mass 281.105193 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Hrqzp88gDI
Name N-Benzyl-3,4-methylenedioxycathinone-A (-2H)
Classification Cathinone analog designer drug artifact
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 281.105193344 u
Formula C17H15NO3
InChI InChI=1S/C17H15NO3/c1-12(18-10-13-5-3-2-4-6-13)17(19)14-7-8-15-16(9-14)21-11-20-15/h2-9H,10-11H2,1H3/b18-12+
InChIKey XAPZJUWNCZHETP-LDADJPATSA-N
Ionization Type Chemical Ionization (CI)
Molecular Weight 281.311 g/mol
Nominal Mass 281 u
Reagent Gas Methane
Retention Index 2352
SMILES C=1(C(\C(=N\CC=2C=CC=CC2)C)=O)C=C2C(=CC1)OCO2
SPLASH splash10-001i-1391000000-02ec05924e222a1b85ce
Sample Comments Double bond position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(1,3-benzodioxol-5-yl)-2-(benzylimino)propan-1-one
Technique GC/MS
Wiley ID DD2024_013059
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