Skatole

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Systematic / IUPAC Name: 3-Methyl-1H-indole

ID: Reference215

Other Names: 3-Methylindole;
1H-Indole, 3-methyl-;
Indole, 3-methyl-;
β-Methylindole;
Scatole

Formula: C9H9N

Class: Endogenous Metabolites Personal Care Products/Cosmetics

Spectral Data

Skatole 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 Elite
No. of Spectral Trees 1
No. of Spectra 90
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/26/2017 7:29:31 AM
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Identificators

InChI InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
InChI Key ZFRKQXVRDFCRJG-UHFFFAOYSA-N
Canonical SMILES CC1=CNC2=CC=CC=C12
CAS 83341
Splash
Other Names 3-Methylindole;
1H-Indole, 3-methyl-;
Indole, 3-methyl-;
β-Methylindole;
Scatole

In Other Databases

ChemSpider 6480
ChEMBL CHEMBL1329793
Wikipedia Skatole
ChemIDPlus 000083341; 068585091
KEGG C08313
PubChem 6736
HMDb HMDB00466
ChEBI CHEBI:9171