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Mesalazine-M (HO-ring) MS2
SpectraBase Compound ID 2vOXWvSGriS
InChI InChI=1S/3C7H7NO4/c8-4-2-5(9)3(7(11)12)1-6(4)10;8-3-1-4(9)6(7(11)12)5(10)2-3;8-4-2-1-3(7(11)12)5(9)6(4)10/h3*1-2,9-10H,8H2,(H,11,12)
InChIKey TZVSOPPEFFXCPX-UHFFFAOYSA-N
Mol Weight 169.14 g/mol
Molecular Formula C7H7NO4
Exact Mass 169.037508 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6XYMyIt3HFS
Name Mesalazine-M (HO-ring) MS2
Comments F: ITMS + c ESI d w Full ms2 170.10
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Ion Polarity P
Ionization Type ESI
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 ms2
Technique ITMS