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2C-B-Fly-NB2EtO5Cl MS3_1
SpectraBase Compound ID 814UaJWR1St
InChI InChI=1S/C12H15O2/c1-3-9-14-12-6-4-11(5-7-12)8-10-13-2/h3-7,9H,1,8,10H2,2H3/q+1
InChIKey ZBXZAVQTVNISSI-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 eSt3SOWpMb
Name Metoprolol 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/C12H15O2/c1-3-9-14-12-6-4-11(5-7-12)8-10-13-2/h3-7,9H,1,8,10H2,2H3/q+1
InChIKey ZBXZAVQTVNISSI-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C(=C)[CH+]OC1=CC=C(C=C1)CCOC
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