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Levobunolol MS3_2
SpectraBase Compound ID 1A1wA87x7Cg
InChI InChI=1S/C13H13O2/c1-2-9-15-13-8-4-5-10-11(13)6-3-7-12(10)14/h2,4-5,8-9H,1,3,6-7H2/q+1/b9-2+
InChIKey YYKMGGIBDRVZCN-XNWCZRBMSA-N
Mol Weight 201.24 g/mol
Molecular Formula C13H13O2
Exact Mass 201.091555 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JUQE6Gg60fd
Name Levobunolol MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C13H13O2/c1-2-9-15-13-8-4-5-10-11(13)6-3-7-12(10)14/h2,4-5,8-9H,1,3,6-7H2/q+1/b9-2+
InChIKey YYKMGGIBDRVZCN-XNWCZRBMSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=1(O\C=C\[CH2+])C=CC=C2C1CCCC2=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