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Atenolol MS3_1
SpectraBase Compound ID CsGcDAnmXEF
InChI InChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15)/p+1
InChIKey UWMXVJVTKRSOPW-UHFFFAOYSA-O
Mol Weight 225.27 g/mol
Molecular Formula C11H17N2O3
Exact Mass 225.123917 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DXKDH362PPG
Name Atenolol MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15)/p+1
InChIKey UWMXVJVTKRSOPW-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH3+]CC(COC=1C=CC(=CC1)CC(N)=O)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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS