Systematic / IUPAC Name: 1-Pentyl-1H-indole-3-carboxylic acid
ID: Reference4932
Other Names:
1-Pentylindole-3-carboxylic acid;
PB-22 3-Carboxyindole metabolite
Formula: C14H17NO2
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
1-Pentyl-1H-indole-3-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion with FAIMS ; Q Exactive Orbitrap |
No. of Spectral Trees | 3 |
No. of Spectra | 480 |
Tandem Spectra | MS1, MS2, MS3 |
Ionization Methods | ESI; NSI |
Analyzers | FT |
Last Modification | 1/8/2019 9:12:53 AM |
InChI | InChI=1S/C14H17NO2/c1-2-3-6-9-15-10-12(14(16)17)11-7-4-5-8-13(11)15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,17) |
InChI Key | HAPJUNILBCTRIJ-UHFFFAOYSA-N |
Canonical SMILES | CCCCCN1C=C(C2=CC=CC=C21)C(=O)O |
CAS | 727421730 |
Splash | |
Other Names |
1-Pentylindole-3-carboxylic acid; PB-22 3-Carboxyindole metabolite |