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Metoprolol-M 2ME
SpectraBase Compound ID 2s2Cvc1KQuR
InChI InChI=1S/C14H22O4/c1-15-9-8-12-4-6-13(7-5-12)18-11-14(17-3)10-16-2/h4-7,14H,8-11H2,1-3H3
InChIKey WWODKLMRXWRURV-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nQYaHXSu0G
Name Metoprolol-M 2ME
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-15-9-8-12-4-6-13(7-5-12)18-11-14(17-3)10-16-2/h4-7,14H,8-11H2,1-3H3
InChIKey WWODKLMRXWRURV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 254.326 g/mol
Nominal Mass 254 u
Quality 904
Retention Index 1821
SMILES C=1(C=CC(=CC1)CCOC)OCC(COC)OC
SPLASH splash10-0a4i-3960000000-10c67acb4070fafdd11d
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2,3-dimethoxypropoxy)-4-(2-methoxyethyl)benzene
Technique GC/MS
Wiley ID DD2024_002450