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Cafedrine MS3_2
SpectraBase Compound ID H9xLQRBOZbA
InChI InChI=1S/C11H14N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h3-10,12H,1H2,2H3/q+1
InChIKey BXMJNJLNTMYBQN-UHFFFAOYSA-N
Mol Weight 160.24 g/mol
Molecular Formula C11H14N
Exact Mass 160.112624 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9zp2qH2fvE
Name Cafedrine MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C11H14N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h3-10,12H,1H2,2H3/q+1
InChIKey BXMJNJLNTMYBQN-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C=C)C(C)[CH+]C1=CC=CC=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS