Malonic acid
1319
Reference
Malonic acid Structure
Systematic / IUPAC Name: Malonic acid
ID: Reference1319
Other Names:
Dicarboxymethane;
Carboxyacetic acid;
Dicarboxylic acid;
1,3-Propanedioic acid;
Propanediolic acid
; more
Formula: C3H4O4
Class: Endogenous Metabolites
Spectral Data
Malonic acid 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; Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 2 |
| No. of Spectra | 280 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 10/18/2016 10:26:30 AM |
Identificators
| InChI | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) |
| InChI Key | OFOBLEOULBTSOW-UHFFFAOYSA-N |
| Canonical SMILES | C(C(=O)O)C(=O)O |
| CAS | 141822 |
| Splash | |
| Other Names |
Dicarboxymethane; Carboxyacetic acid; Dicarboxylic acid; 1,3-Propanedioic acid; Propanediolic acid; Metahnedicarboxylic acid; Propane-1,3-dioic acid |