Citric acid

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Systematic / IUPAC Name: 2-Hydroxy-1,2,3-propanetricarboxylic acid

ID: Reference352

Other Names: 2-Hydroxypropane-1,2,3-tricarboxylic acid;
2-Hydroxytricarballylic acid;
1,2,3-Propanetricarboxylic acid, 2-hydroxy-;
2-Hydroxypropanetricarboxylic acid;
3-Carboxy-3-hydroxypentane-1,5-dioic acid ; more

Formula: C6H8O7

Class: Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics

Spectral Data

Citric 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 Fusion Lumos with ETD LBP FAIMS ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 584
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 10/11/2016 9:44:26 AM
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Identificators

InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key KRKNYBCHXYNGOX-UHFFFAOYSA-N
Canonical SMILES C(C(=O)O)C(CC(=O)O)(C(=O)O)O
CAS 77929
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Other Names 2-Hydroxypropane-1,2,3-tricarboxylic acid;
2-Hydroxytricarballylic acid;
1,2,3-Propanetricarboxylic acid, 2-hydroxy-;
2-Hydroxypropanetricarboxylic acid;
3-Carboxy-3-hydroxypentane-1,5-dioic acid;
β-Hydroxytricarballylic acid;
3-Carboxy-3-hydroxy-pentanedioic acid;
Citro;
Aciletten;
Citretten;
Chemfill;
Hydrocerol A;
Uro-trainer;
Suby G;
Citrate anion;
Citraclean;
Citralite

In Other Databases

HMDb HMDB00094
PubChem 311
KEGG C00158; C12649; D00774; D00803; D00845; D00933; D00962; D00966; D00967; D00037
Wikipedia Citric acid
ChemSpider 305
ChEBI CHEBI:30769
ChemIDPlus 000068042; 000069227; 000077929; 000132354; 000144230; 000144332; 000546463; 000908521; 000912027; 000912129
ChEMBL CHEMBL1261