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Metipranolol-M (HO-) isomer 2 MS3_1
SpectraBase Compound ID 8c8g8FpnVk3
InChI InChI=1S/C12H15O2/c1-6-14-11-7-8(2)12(13-5)10(4)9(11)3/h6-7H,1,5H2,2-4H3/q+1
InChIKey VFOOEHIVJPWIHZ-UHFFFAOYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C12H15O2
Exact Mass 191.107205 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DPNnwHZY0qm
Name Metipranolol MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C12H15O2/c1-6-14-11-7-8(2)12(13-5)10(4)9(11)3/h6-7H,1,5H2,2-4H3/q+1
InChIKey VFOOEHIVJPWIHZ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C(OC1=C(C(C)=C(C(=C1)C)O[CH2+])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 ms3
Technique ITMS