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Cinchocaine-M (nor-) MS3_2
SpectraBase Compound ID JEk55iCDQIS
InChI InChI=1S/C15H18N2O/c1-3-4-9-18-15-10-12(11-16-2)13-7-5-6-8-14(13)17-15/h5-8,10H,2-4,9,11H2,1H3/p+1
InChIKey XVNFTTWJNZKVJE-UHFFFAOYSA-O
Mol Weight 243.33 g/mol
Molecular Formula C15H19N2O
Exact Mass 243.149738 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5UeIiPOsM4
Name Cinchocaine-M (nor-) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-255.00]
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InChI InChI=1S/C15H18N2O/c1-3-4-9-18-15-10-12(11-16-2)13-7-5-6-8-14(13)17-15/h5-8,10H,2-4,9,11H2,1H3/p+1
InChIKey XVNFTTWJNZKVJE-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH+](=C)CC1=C2C(C=CC=C2)=NC(=C1)OCCCC
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