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Indometacin MS3_2
SpectraBase Compound ID HThJwweyYQs
InChI InChI=1S/C7H4ClO/c8-7-3-1-6(5-9)2-4-7/h1-4H/q+1
InChIKey IDTWRXVGBVZQHB-UHFFFAOYSA-N
Mol Weight 139.56 g/mol
Molecular Formula C7H4ClO
Exact Mass 138.995067 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID J0pJguWFc4P
Name Acemetacin-M/artifact (indometacin) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C7H4ClO/c8-7-3-1-6(5-9)2-4-7/h1-4H/q+1
InChIKey IDTWRXVGBVZQHB-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](C1=CC=C(C=C1)Cl)=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