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Toliprolol artifact (-H2O) MS2
SpectraBase Compound ID E2IxBxTD5K
InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/p+1
InChIKey NXQMNKUGGYNLBY-UHFFFAOYSA-O
Mol Weight 224.32 g/mol
Molecular Formula C13H22NO2
Exact Mass 224.165054 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6lwT1gL7iUA
Name Toliprolol artifact (-H2O) MS2
Comments F: ITMS + c ESI d w Full ms2 224.10
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InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/p+1
InChIKey NXQMNKUGGYNLBY-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH2+](CC(O)COC1=CC(C)=CC=C1)C(C)C
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 ms2
Technique ITMS