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Metoprolol-M (HO-) 3AC
SpectraBase Compound ID Ft8RcIWUfjp
InChI InChI=1S/C21H31NO7/c1-6-11-22(15(2)23)12-20(28-16(3)24)13-27-19-9-7-18(8-10-19)21(14-26-5)29-17(4)25/h7-10,20-21H,6,11-14H2,1-5H3
InChIKey MNEIJFGWFVWKLQ-UHFFFAOYSA-N
Mol Weight 409.48 g/mol
Molecular Formula C21H31NO7
Exact Mass 409.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6Hvb9AxC6X
Name Metoprolol-M (HO-) 3AC
Classification Beta-Blocker
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Exact Mass 409.210052335 u
Formula C21H31NO7
InChI InChI=1S/C21H31NO7/c1-6-11-22(15(2)23)12-20(28-16(3)24)13-27-19-9-7-18(8-10-19)21(14-26-5)29-17(4)25/h7-10,20-21H,6,11-14H2,1-5H3
InChIKey MNEIJFGWFVWKLQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 409.479 g/mol
SMILES c1c(ccc(c1)C(COC)OC(C)=O)OCC(CN(C(=O)C)CCC)OC(=O)C
SPLASH splash10-0zmm-9840000000-da5f1aa3ab03dfaef83b
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1136