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Atenolol artifact (formyl-HOOC) ME
SpectraBase Compound ID 64sfIMXbBS0
InChI InChI=1S/C16H23NO4/c1-12(2)17-9-15(21-11-17)10-20-14-6-4-13(5-7-14)8-16(18)19-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey AWYNTDCMAFSRMN-UHFFFAOYSA-N
Mol Weight 293.36 g/mol
Molecular Formula C16H23NO4
Exact Mass 293.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YMmhr4Cj5G
Name Atenolol artifact (formyl-HOOC) ME
Classification Beta-Blocker
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Exact Mass 293.162708221 u
Formula C16H23NO4
InChI InChI=1S/C16H23NO4/c1-12(2)17-9-15(21-11-17)10-20-14-6-4-13(5-7-14)8-16(18)19-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey AWYNTDCMAFSRMN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 293.363 g/mol
SMILES c1c(ccc(c1)CC(OC)=O)OCC1CN(C(C)C)CO1
SPLASH splash10-01t9-7940000000-6780a4db711f0c94f17a
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
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Atenolol artifact (formyl-HOOC-) ME
Technique GC/MS
Wiley ID MMPW6e_2682