AKB48 N-pentanoic acid metabolite

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Systematic / IUPAC Name: 5-[3-(Adamantan-1-ylcarbamoyl)-1H-indazol-1-yl]pentanoic acid

ID: Reference4954

Other Names: 1H-Indazole-1-pentanoic acid, 3-[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]-

Formula: C23H29N3O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AKB48 N-pentanoic 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 108
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/4/2016 8:02:23 AM
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Identificators

InChI InChI=1S/C23H29N3O3/c27-20(28)7-3-4-8-26-19-6-2-1-5-18(19)21(25-26)22(29)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,29)(H,27,28)
InChI Key CMCIJYXHEYJYQU-UHFFFAOYSA-N
Canonical SMILES O=C(NC12C[C@H]3C[C@H](C[C@@H](C2)C3)C1)C4=NN(CCCCC(O)=O)C5=C4C=CC=C5
CAS 1630022944
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Other Names 1H-Indazole-1-pentanoic acid, 3-[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]-

In Other Databases

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