Indole
444
Reference
Indole Structure
Systematic / IUPAC Name: 1H-Indole
ID: Reference444
Other Names:
1-Benzazole;
1-Azaindene;
2,3-Benzopyrrole;
Indol;
Benzopyrrole
; more
Formula: C8H7N
Class: Endogenous Metabolites
Spectral Data
Indole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 166 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 1/20/2015 1:52:02 PM |
Identificators
| InChI | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| InChI Key | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C2C(=C1)C=CN2 |
| CAS | 120729 |
| Splash | |
| Other Names |
1-Benzazole; 1-Azaindene; 2,3-Benzopyrrole; Indol; Benzopyrrole; Benzo[b]pyrrole; 1H-Benzo[b]pyrrole |