Indole-2-carboxylic acid

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Systematic / IUPAC Name: 1H-Indole-2-carboxylic acid

ID: Reference1302

Other Names: 2-Indolecarboxylic acid;
2-Carboxyindole

Formula: C9H7NO2

Class: Endogenous Metabolites

Spectral Data

Indole-2-carboxylic acid 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; Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 370
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/4/2014 10:17:54 AM
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Identificators

InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
InChI Key HCUARRIEZVDMPT-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C=C(N2)C(=O)O
CAS 1477505
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Other Names 2-Indolecarboxylic acid;
2-Carboxyindole

In Other Databases

ChEMBL CHEMBL278390
ChemIDPlus 001477505
HMDb HMDB02285
ChemSpider 65731
PubChem 72899