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MDAI
SpectraBase Compound ID 8qeIhdYc21A
InChI InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2
InChIKey FQDRMHHCWZAXJM-UHFFFAOYSA-N
Mol Weight 177.2 g/mol
Molecular Formula C10H11NO2
Exact Mass 177.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AadXwXxPlzB
Name MDAI
CAS Registry Number 132741-81-2
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 177.078978596 u
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2
InChIKey FQDRMHHCWZAXJM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 177.203 g/mol
SMILES c1c2OCOc2cc2c1CC(C2)N
SPLASH splash10-03fr-3900000000-313a67ab4cac2a5de87b
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_8573