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Piretanide MS3_2
SpectraBase Compound ID 3vXvWQvFEti
InChI InChI=1S/C16H16NO/c1-2-8-14(9-3-1)18-16-11-5-4-10-15(16)17-12-6-7-13-17/h1-5,8-10H,6-7,12-13H2/q+1
InChIKey ASRWPWZXTNOSAW-UHFFFAOYSA-N
Mol Weight 238.31 g/mol
Molecular Formula C16H16NO
Exact Mass 238.123189 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Cd6NiWp9NWm
Name Piretanide MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C16H16NO/c1-2-8-14(9-3-1)18-16-11-5-4-10-15(16)17-12-6-7-13-17/h1-5,8-10H,6-7,12-13H2/q+1
InChIKey ASRWPWZXTNOSAW-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+]1=CC=CC(=C1OC1=CC=CC=C1)N1CCCC1
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