MAM2201 N-pentanoic acid metabolite

enlarge

Systematic / IUPAC Name: 5-[3-(4-Methyl-1-naphthoyl)-1H-indol-1-yl]pentanoic acid

ID: Reference4946

Other Names: 1H-Indole-1-pentanoic acid, 3-[(4-methyl-1-naphthalenyl)carbonyl]-

Formula: C25H23NO3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

MAM2201 N-pentanoic acid metabolite mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 226
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/4/2016 11:53:56 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H23NO3/c1-17-13-14-21(19-9-3-2-8-18(17)19)25(29)22-16-26(15-7-6-12-24(27)28)23-11-5-4-10-20(22)23/h2-5,8-11,13-14,16H,6-7,12,15H2,1H3,(H,27,28)
InChI Key CXHVTSVFMMQERU-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCCC(=O)O
CAS 1537889090
Splash
Other Names 1H-Indole-1-pentanoic acid, 3-[(4-methyl-1-naphthalenyl)carbonyl]-

In Other Databases

PubChem 91864527
ChemSpider 29341869