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Esmolol MS3_1
SpectraBase Compound ID KbGcMninDcc
InChI InChI=1S/C13H15O3/c1-3-10-16-12-7-4-11(5-8-12)6-9-13(14)15-2/h3-5,7-8,10H,1,6,9H2,2H3/q+1
InChIKey BQXTYYXVYNGRTM-UHFFFAOYSA-N
Mol Weight 219.26 g/mol
Molecular Formula C13H15O3
Exact Mass 219.102119 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID EFM7ikioMq4
Name Esmolol MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C13H15O3/c1-3-10-16-12-7-4-11(5-8-12)6-9-13(14)15-2/h3-5,7-8,10H,1,6,9H2,2H3/q+1
InChIKey BQXTYYXVYNGRTM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C(=C)[CH+]OC1=CC=C(C=C1)CCC(OC)=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