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4-Hydroxy-A-methyl-benzenepropaneamine
SpectraBase Compound ID GkxHZQJOkV0
InChI InChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3
InChIKey WNTVTQIJPAFZEL-UHFFFAOYSA-N
Mol Weight 165.24 g/mol
Molecular Formula C10H15NO
Exact Mass 165.115364 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5pBMvG7guW
Name Labetalol-M (N-dealky-HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 166.10
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Formula C10H15NO
InChI InChI=1S/C10H15NO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,12H,2-3,11H2,1H3
InChIKey WNTVTQIJPAFZEL-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=C(CCC(C)N)C=C1
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 ms2
Technique ITMS