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Procarterol MS3_1
SpectraBase Compound ID D3FQoHTk7Z4
InChI InChI=1S/C13H14N2O2/c1-2-9(14)7-8-3-5-11(16)13-10(8)4-6-12(17)15-13/h3-7,16H,2,14H2,1H3,(H,15,17)/p+1/b9-7+
InChIKey JYFBEDNBVPFRLF-VQHVLOKHSA-O
Mol Weight 231.28 g/mol
Molecular Formula C13H15N2O2
Exact Mass 231.113353 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID D8d2Y7Tu66R
Name Procarterol MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C13H14N2O2/c1-2-9(14)7-8-3-5-11(16)13-10(8)4-6-12(17)15-13/h3-7,16H,2,14H2,1H3,(H,15,17)/p+1/b9-7+
InChIKey JYFBEDNBVPFRLF-VQHVLOKHSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH3+]\C(=C\C=1C=CC(=C2C1C=CC(N2)=O)O)CC
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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS