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N-Allyl-nor-lysergic acid diethylamide ##
SpectraBase Compound ID 78xzU0HHxE5
InChI InChI=1S/C22H27N3O/c1-4-10-25-14-16(22(26)24(5-2)6-3)11-18-17-8-7-9-19-21(17)15(13-23-19)12-20(18)25/h4,7-9,11,13,16,20,23H,1,5-6,10,12,14H2,2-3H3
InChIKey JCQLEPDZFXGHHQ-UHFFFAOYSA-N
Mol Weight 349.48 g/mol
Molecular Formula C22H27N3O
Exact Mass 349.215413 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Lv8poCHRhN1
Name N-Allyl-nor-lysergic acid diethylamide ##
CAS Registry Number 65527-61-9
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-375.00]
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Formula C22H27N3O
InChI InChI=1S/C22H27N3O/c1-4-10-25-14-16(22(26)24(5-2)6-3)11-18-17-8-7-9-19-21(17)15(13-23-19)12-20(18)25/h4,7-9,11,13,16,20,23H,1,5-6,10,12,14H2,2-3H3
InChIKey JCQLEPDZFXGHHQ-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N1C=C2C3=C(C=CC=C13)C1=CC(CN(C1C2)CC=C)C(=O)N(CC)CC
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD