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LSD-M (N-dealkyl-) MS3_1
SpectraBase Compound ID IkrGJHtZhOr
InChI InChI=1S/C16H16N2O/c1-2-17-15(19)9-8-11-6-7-12-10-18-14-5-3-4-13(11)16(12)14/h3-6,8-11,18H,2,7H2,1H3/p+1/b9-8+
InChIKey LCOWESZQKVOOIZ-CMDGGOBGSA-O
Mol Weight 253.32 g/mol
Molecular Formula C16H17N2O
Exact Mass 253.134088 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 68OQlnn1tUl
Name LSD-M (N-dealkyl-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-265.00]
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InChI InChI=1S/C16H16N2O/c1-2-17-15(19)9-8-11-6-7-12-10-18-14-5-3-4-13(11)16(12)14/h3-6,8-11,18H,2,7H2,1H3/p+1/b9-8+
InChIKey LCOWESZQKVOOIZ-CMDGGOBGSA-O
Ion Polarity P
Ionization Type ESI
SMILES N(C(\C=C\C1[CH+]CC2=CNC3=C2C1=CC=C3)=O)CC
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