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MDAI formyl artifact
SpectraBase Compound ID 28QA3RoCKH3
InChI InChI=1S/C11H11NO2/c1-12-9-2-7-4-10-11(14-6-13-10)5-8(7)3-9/h4-5,9H,1-3,6H2
InChIKey CIAQEWRLFDIQSN-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2OiQRbcb1J
Name MDAI formyl artifact
Classification Designer drug
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Exact Mass 189.078978596 u
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c1-12-9-2-7-4-10-11(14-6-13-10)5-8(7)3-9/h4-5,9H,1-3,6H2
InChIKey CIAQEWRLFDIQSN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 189.214 g/mol
SMILES c1c2OCOc2cc2c1CC(C2)N=C
SPLASH splash10-03e9-5900000000-357924f716117c0603a1
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_8574