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LSM-775 MS3_1
SpectraBase Compound ID H92e5UynIX0
InChI InChI=1S/C18H19N2O2/c21-17(20-8-10-22-11-9-20)7-6-13-4-5-14-12-19-16-3-1-2-15(13)18(14)16/h1-4,6-7,12-13,19H,5,8-11H2/q+1/b7-6+
InChIKey IZDLJPZTWRKVPT-VOTSOKGWSA-N
Mol Weight 295.36 g/mol
Molecular Formula C18H19N2O2
Exact Mass 295.144653 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID C8jS4xazR02
Name LSM-775 MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-310.00]
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Formula C18H19N2O2
InChI InChI=1S/C18H19N2O2/c21-17(20-8-10-22-11-9-20)7-6-13-4-5-14-12-19-16-3-1-2-15(13)18(14)16/h1-4,6-7,12-13,19H,5,8-11H2/q+1/b7-6+
InChIKey IZDLJPZTWRKVPT-VOTSOKGWSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C=2C=CC=C3C([CH+]CC(=C1)C23)\C=C\C(N1CCOCC1)=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 ms3
Technique ITMS