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Phenylbutazone MS3_1
SpectraBase Compound ID mLI5y0AfYJ
InChI InChI=1S/C13H11N2O/c16-11-15(13-9-5-2-6-10-13)14-12-7-3-1-4-8-12/h1-10,14H/q+1
InChIKey NTVUURBXENGMFF-UHFFFAOYSA-N
Mol Weight 211.24 g/mol
Molecular Formula C13H11N2O
Exact Mass 211.087138 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ijjy7cj74n4
Name Suxibuzone artifact MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C13H11N2O/c16-11-15(13-9-5-2-6-10-13)14-12-7-3-1-4-8-12/h1-10,14H/q+1
InChIKey NTVUURBXENGMFF-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(N([C+]=O)C1=CC=CC=C1)C=1C=CC=CC1
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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS