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Mesembrenone-M (O,N-bis-demethyl-) MS2
SpectraBase Compound ID Jhv77yVcgyS
InChI InChI=1S/C15H17NO3/c1-19-13-8-10(2-3-12(13)18)15-5-4-11(17)9-14(15)16-7-6-15/h2-5,8,14,16,18H,6-7,9H2,1H3
InChIKey RLXIHQURHHGLLP-UHFFFAOYSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6pLXtAnsbw
Name Mesembrenone-M (O,N-bis-demethyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 260.20
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Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c1-19-13-8-10(2-3-12(13)18)15-5-4-11(17)9-14(15)16-7-6-15/h2-5,8,14,16,18H,6-7,9H2,1H3
InChIKey RLXIHQURHHGLLP-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1CCC2(C3=CC=C(C(=C3)OC)O)C=CC(CC12)=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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS