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Ivabradine-M (HO-) MS3_2
SpectraBase Compound ID 7lNzu1thZDY
InChI InChI=1S/C11H13O2/c1-7-4-8-5-10(12-2)11(13-3)6-9(7)8/h5-7H,1,4H2,2-3H3/q+1
InChIKey JCPXSAWFFNPOQQ-UHFFFAOYSA-N
Mol Weight 177.22 g/mol
Molecular Formula C11H13O2
Exact Mass 177.091555 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JZovAf0vKar
Name Ivabradine-M (dihydro-) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00]
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InChI InChI=1S/C11H13O2/c1-7-4-8-5-10(12-2)11(13-3)6-9(7)8/h5-7H,1,4H2,2-3H3/q+1
InChIKey JCPXSAWFFNPOQQ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]C1C2=C(C1)C=C(C(=C2)OC)OC
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS