AB-FUBINACA metabolite 2B

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Systematic / IUPAC Name: N2-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-3-methyl-α-asparagine

ID: Reference6032

Other Names: 4-Amino-3-[1-(4-fluorobenzyl)-1H-indazole-3-carboxamido]-2-methyl-4-oxobutanoic acid

Formula: C20H19FN4O4

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-FUBINACA metabolite 2B mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS ; Q Exactive Plus Orbitrap
No. of Spectral Trees 7
No. of Spectra 6812
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/8/2019 8:11:02 AM
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Identificators

InChI InChI=1S/C20H19FN4O4/c1-11(20(28)29)16(18(22)26)23-19(27)17-14-4-2-3-5-15(14)25(24-17)10-12-6-8-13(21)9-7-12/h2-9,11,16H,10H2,1H3,(H2,22,26)(H,23,27)(H,28,29)
InChI Key NEZYQTIODXEXMK-UHFFFAOYSA-N
Canonical SMILES O=C(NC(C(N)=O)C(C)C(O)=O)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
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Other Names 4-Amino-3-[1-(4-fluorobenzyl)-1H-indazole-3-carboxamido]-2-methyl-4-oxobutanoic acid

In Other Databases

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