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Befunolol MS3_1
SpectraBase Compound ID FcbG7rjpHbb
InChI InChI=1S/C13H15NO4/c1-8(15)12-5-9-3-2-4-11(13(9)18-12)17-7-10(16)6-14/h2-5,10,16H,6-7,14H2,1H3/p+1
InChIKey MCZZVZIXQDALIR-UHFFFAOYSA-O
Mol Weight 250.27 g/mol
Molecular Formula C13H16NO4
Exact Mass 250.107933 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID OolSFFHzUj
Name Befunolol MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-265.00]
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InChI InChI=1S/C13H15NO4/c1-8(15)12-5-9-3-2-4-11(13(9)18-12)17-7-10(16)6-14/h2-5,10,16H,6-7,14H2,1H3/p+1
InChIKey MCZZVZIXQDALIR-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH3+]CC(COC1=CC=CC2=C1OC(=C2)C(=O)C)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