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Laudanosine-M (demethyl) MS2
SpectraBase Compound ID 5Jurdkz0U8n
InChI InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-17(22)18(10-13)23-2/h5-6,10-12,16,22H,7-9H2,1-4H3
InChIKey SSBPHQDXIDTEDU-UHFFFAOYSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DuZrVhryT0b
Name Laudanosine-M (O-demethyl-isomer 1) MS2
Comments F: ITMS + c ESI d w Full ms2 [email protected]
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InChI InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-17(22)18(10-13)23-2/h5-6,10-12,16,22H,7-9H2,1-4H3
InChIKey SSBPHQDXIDTEDU-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC=1C=CC(CC2C3=CC(=C(C=C3CCN2C)OC)OC)=CC1OC
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