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U-47700 MS2
SpectraBase Compound ID 3mLP4e8DX3V
InChI InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3
InChIKey JGPNMZWFVRQNGU-UHFFFAOYSA-N
Mol Weight 329.27 g/mol
Molecular Formula C16H22Cl2N2O
Exact Mass 328.110919 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 83r6aWi2fX8
Name U-47700 MS2
Comments F: ITMS + c ESI d w Full ms2 329.10
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Formula C16H22Cl2N2O
InChI InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3
InChIKey JGPNMZWFVRQNGU-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=1(C=CC(=C(C1)Cl)Cl)C(N(C1C(CCCC1)N(C)C)C)=O
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 ms2
Technique ITMS