AB-PINACA carboxylic acid metabolite

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Systematic / IUPAC Name:

ID: Reference8475

Other Names:

Formula: C18H25N3O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-PINACA carboxylic acid metabolite 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
No. of Spectral Trees 3
No. of Spectra 3208
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/8/2019 8:05:51 AM
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Identificators

InChI InChI=1S/C18H25N3O3/c1-4-5-8-11-21-14-10-7-6-9-13(14)16(20-21)17(22)19-15(12(2)3)18(23)24/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H,19,22)(H,23,24)/t15-/m0/s1
InChI Key HCGKRLHOLBHGBK-HNNXBMFYSA-N
Canonical SMILES O=C(N[C@@H](C(C)C)C(=O)O)c1nn(c2c1cccc2)CCCCC
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