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Dimethocaine-M (N,N-bisdeethyl-HO-aryl-N-acetyl-) MS3_2
SpectraBase Compound ID 68zx7jPt2AX
InChI InChI=1S/C9H7NO3/c1-6(12)10-8-3-2-7(5-11)4-9(8)13/h3-5H,1H3,(H-,10,11,12,13)/p+1
InChIKey JXAQAEBNQQFEMY-UHFFFAOYSA-O
Mol Weight 178.17 g/mol
Molecular Formula C9H8NO3
Exact Mass 178.050418 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Hqys4d4tJYG
Name Dimethocaine-M (N-deethyl-HO-aryl-N-acetyl-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00]
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Formula C9H8NO3
InChI InChI=1S/C9H7NO3/c1-6(12)10-8-3-2-7(5-11)4-9(8)13/h3-5H,1H3,(H-,10,11,12,13)/p+1
InChIKey JXAQAEBNQQFEMY-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC=1C=C([C+]=CC1NC(=O)C)C=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS