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AB-PINACA artifact (deamino-) MS2
SpectraBase Compound ID Sa8ro0UCK
InChI InChI=1S/C18H23N3O2/c1-4-5-8-11-21-16-10-7-6-9-14(16)17(20-21)18(23)19-15(12-22)13(2)3/h6-7,9-10,13,15H,4-5,8,11H2,1-3H3/p+1
InChIKey YYONXMYDKWSHHV-UHFFFAOYSA-O
Mol Weight 314.41 g/mol
Molecular Formula C18H24N3O2
Exact Mass 314.186852 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CMCddmmgXwm
Name AMP MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-325.00]
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Formula C18H24N3O2
InChI InChI=1S/C18H23N3O2/c1-4-5-8-11-21-16-10-7-6-9-14(16)17(20-21)18(23)19-15(12-22)13(2)3/h6-7,9-10,13,15H,4-5,8,11H2,1-3H3/p+1
InChIKey YYONXMYDKWSHHV-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N(C([C+]=O)C(C)C)C(C1=NN(C2=C1C=CC=C2)CCCCC)=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS