Tartrazine

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Systematic / IUPAC Name: 5-Hydroxy-1-(4-sulfophenyl)-4-[(E)-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylic acid

ID: Reference3038

Other Names: 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-(4-sulfophenyl)-4-[(E)-2-(4-sulfophenyl)diazenyl]-;
5-Hydroxy-1-(4-sulfophenyl)-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]pyrazole-3-carboxylic acid

Formula: C16H12N4O9S2

Class: Excipients/Additives/Colorants Personal Care Products/Cosmetics Extractables/Leachables Industrial Chemicals Textile Chemicals/Auxiliary/Dyes

Spectral Data

Tartrazine 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; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 4176
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/11/2017 10:59:18 AM
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Identificators

InChI InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29)/b18-17+
InChI Key KPIQXPLWZCDIHI-ISLYRVAYSA-N
Canonical SMILES c1cc(ccc1/N=N/c2c(nn(c2O)c3ccc(cc3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O
CAS
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Other Names 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-(4-sulfophenyl)-4-[(E)-2-(4-sulfophenyl)diazenyl]-;
5-Hydroxy-1-(4-sulfophenyl)-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]pyrazole-3-carboxylic acid

In Other Databases

Wikipedia Tartrazine
ChemSpider 11325508; 10606981
HMDb HMDB59914