PB-22 N-(4-Hydroxypentyl)-3-carboxyindole metabolite

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Systematic / IUPAC Name: 1-(4-Hydroxypentyl)indole-3-carboxylic acid

ID: Reference8466

Other Names: 1-(4-Hydroxypentyl)-1H-indole-3-carboxylic acid

Formula: C14H17NO3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

PB-22 N-(4-Hydroxypentyl)-3-carboxyindole 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 2
No. of Spectra 1401
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/8/2019 9:10:59 AM
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Identificators

InChI InChI=1S/C14H17NO3/c1-10(16)5-4-8-15-9-12(14(17)18)11-6-2-3-7-13(11)15/h2-3,6-7,9-10,16H,4-5,8H2,1H3,(H,17,18)
InChI Key JKTRSAHBYMWKAA-UHFFFAOYSA-N
Canonical SMILES CC(CCCN1C=C(C2=CC=CC=C21)C(=O)O)O
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Other Names 1-(4-Hydroxypentyl)-1H-indole-3-carboxylic acid

In Other Databases

ChemSpider 29341627
Cayman 14563
PubChem 102128751