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MDAI AC
SpectraBase Compound ID EJbv70DZntx
InChI InChI=1S/C12H13NO3/c1-7(14)13-10-2-8-4-11-12(16-6-15-11)5-9(8)3-10/h4-5,10H,2-3,6H2,1H3,(H,13,14)
InChIKey QTROWTILPXZINM-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeAlinyyPzN
Name MDAI AC
Classification Designer drug
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Exact Mass 219.089543280 u
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-7(14)13-10-2-8-4-11-12(16-6-15-11)5-9(8)3-10/h4-5,10H,2-3,6H2,1H3,(H,13,14)
InChIKey QTROWTILPXZINM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 219.240 g/mol
SMILES c1c2OCOc2cc2c1CC(C2)NC(C)=O
SPLASH splash10-03di-2900000000-a793c5b869ce6d12a51d
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
Technique GC/MS
Wiley ID MMPW6e_8575