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Metamizol-M (-SO3H) MS3_1
SpectraBase Compound ID CNq1qvMZ4hx
InChI InChI=1S/C11H11N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-7H,1-2H3/q+1
InChIKey OLRKNXHUQIZTCU-UHFFFAOYSA-N
Mol Weight 187.22 g/mol
Molecular Formula C11H11N2O
Exact Mass 187.087138 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KYeXFy1t3l7
Name Dipyrone-M (dealkyl-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C11H11N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-7H,1-2H3/q+1
InChIKey OLRKNXHUQIZTCU-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+]=1C(=O)N(N(C1C)C)C1=CC=CC=C1
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