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LSD-M (HO-) MS3_1
SpectraBase Compound ID 7A4FZNg52by
InChI InChI=1S/C18H20N2O2/c1-3-20(4-2)17(22)8-7-12-5-6-13-11-19-16-10-14(21)9-15(12)18(13)16/h5,7-12,19H,3-4,6H2,1-2H3/p+1/b8-7+
InChIKey QMGHMZLJWWQJER-BQYQJAHWSA-O
Mol Weight 297.38 g/mol
Molecular Formula C18H21N2O2
Exact Mass 297.160303 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID D6F4FISJyd9
Name LSD-M (HO-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-310.00]
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InChI InChI=1S/C18H20N2O2/c1-3-20(4-2)17(22)8-7-12-5-6-13-11-19-16-10-14(21)9-15(12)18(13)16/h5,7-12,19H,3-4,6H2,1-2H3/p+1/b8-7+
InChIKey QMGHMZLJWWQJER-BQYQJAHWSA-O
Ion Polarity P
Ionization Type ESI
SMILES N1C2=C3C(C[CH+]C(C3=CC(=C2)O)\C=C\C(N(CC)CC)=O)=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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS