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RCS-04 C4 derivative found in pure substance-M (O-demethyl-) MS2
SpectraBase Compound ID 6lsBiAb1zKc
InChI InChI=1S/C19H19NO2/c1-2-3-12-20-13-17(16-6-4-5-7-18(16)20)19(22)14-8-10-15(21)11-9-14/h4-11,13,21H,2-3,12H2,1H3
InChIKey JRLPSMZZDZZWBN-UHFFFAOYSA-N
Mol Weight 293.37 g/mol
Molecular Formula C19H19NO2
Exact Mass 293.141579 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Lk6o6wfC5Hr
Name RCS-04 C4 derivative found in pure substance-M (O-demethyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 294.10
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Formula C19H19NO2
InChI InChI=1S/C19H19NO2/c1-2-3-12-20-13-17(16-6-4-5-7-18(16)20)19(22)14-8-10-15(21)11-9-14/h4-11,13,21H,2-3,12H2,1H3
InChIKey JRLPSMZZDZZWBN-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=C(C(C=2C=3C(N(CCCC)C2)=CC=CC3)=O)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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS