Record Information |
---|
Version | 5.0 |
---|
Status | Detected but not Quantified |
---|
Creation Date | 2005-11-16 15:48:42 UTC |
---|
Update Date | 2023-02-21 17:15:15 UTC |
---|
HMDB ID | HMDB0000867 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | Ribonic acid |
---|
Description | Ribonic acid, also known as D-ribonate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Ribonic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make ribonic acid a potential biomarker for the consumption of these foods. Ribonic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Ribonic acid. |
---|
Structure | OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1 |
---|
Synonyms | Value | Source |
---|
D-Ribonic acid | Kegg | D-Ribonate | Generator | Ribonate | Generator | 2,3,4,5-Tetrahydroxypentanoic acid | HMDB | Ribonic acid | HMDB |
|
---|
Chemical Formula | C5H10O6 |
---|
Average Molecular Weight | 166.1293 |
---|
Monoisotopic Molecular Weight | 166.047738052 |
---|
IUPAC Name | (2R,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid |
---|
Traditional Name | ribonic acid |
---|
CAS Registry Number | 642-98-8 |
---|
SMILES | OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O |
---|
InChI Identifier | InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1 |
---|
InChI Key | QXKAIJAYHKCRRA-BXXZVTAOSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbohydrates and carbohydrate conjugates |
---|
Direct Parent | Sugar acids and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Pentose monosaccharide
- Beta-hydroxy acid
- Sugar acid
- Short-chain hydroxy acid
- Alpha-hydroxy acid
- Fatty acid
- Hydroxy acid
- Monosaccharide
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Polyol
- Primary alcohol
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | Not Available |
---|
Role | Not Available |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Experimental Collision Cross Sections |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
Ribonic acid,1TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O | 1581.6 | Semi standard non polar | 33892256 | Ribonic acid,1TMS,isomer #2 | C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O)C(=O)O | 1556.3 | Semi standard non polar | 33892256 | Ribonic acid,1TMS,isomer #3 | C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H](O)C(=O)O | 1547.2 | Semi standard non polar | 33892256 | Ribonic acid,1TMS,isomer #4 | C[Si](C)(C)O[C@@H](C(=O)O)[C@H](O)[C@H](O)CO | 1552.7 | Semi standard non polar | 33892256 | Ribonic acid,1TMS,isomer #5 | C[Si](C)(C)OC(=O)[C@H](O)[C@H](O)[C@H](O)CO | 1550.8 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(=O)O | 1647.9 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #10 | C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO | 1600.9 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)O | 1635.0 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #3 | C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)O | 1648.0 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #4 | C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O[Si](C)(C)C | 1642.9 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #5 | C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)C(=O)O | 1627.9 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #6 | C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)O | 1642.7 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #7 | C[Si](C)(C)OC(=O)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C | 1636.5 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #8 | C[Si](C)(C)O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)CO | 1620.7 | Semi standard non polar | 33892256 | Ribonic acid,2TMS,isomer #9 | C[Si](C)(C)OC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO | 1611.7 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)O | 1704.2 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #10 | C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO | 1673.2 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)O | 1710.8 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #3 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(=O)O[Si](C)(C)C | 1710.1 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #4 | C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O | 1701.6 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #5 | C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C | 1707.9 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #6 | C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1696.1 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #7 | C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O | 1699.2 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #8 | C[Si](C)(C)OC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C | 1707.7 | Semi standard non polar | 33892256 | Ribonic acid,3TMS,isomer #9 | C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C | 1701.3 | Semi standard non polar | 33892256 | Ribonic acid,4TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O | 1734.6 | Semi standard non polar | 33892256 | Ribonic acid,4TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C | 1764.9 | Semi standard non polar | 33892256 | Ribonic acid,4TMS,isomer #3 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1758.9 | Semi standard non polar | 33892256 | Ribonic acid,4TMS,isomer #4 | C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1751.4 | Semi standard non polar | 33892256 | Ribonic acid,4TMS,isomer #5 | C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C | 1747.9 | Semi standard non polar | 33892256 | Ribonic acid,5TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1774.2 | Semi standard non polar | 33892256 | Ribonic acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O | 1873.0 | Semi standard non polar | 33892256 | Ribonic acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O)C(=O)O | 1840.5 | Semi standard non polar | 33892256 | Ribonic acid,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H](O)C(=O)O | 1812.9 | Semi standard non polar | 33892256 | Ribonic acid,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O)[C@H](O)[C@H](O)CO | 1837.2 | Semi standard non polar | 33892256 | Ribonic acid,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@H](O)[C@H](O)CO | 1825.4 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)C(=O)O | 2100.7 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO | 2066.1 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O | 2097.5 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 2124.1 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C | 2093.7 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O | 2094.7 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 2110.9 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2091.6 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO | 2101.0 | Semi standard non polar | 33892256 | Ribonic acid,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO | 2076.9 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O | 2342.3 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO | 2347.3 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 2386.5 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C | 2361.8 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 2389.2 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C | 2373.7 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2357.2 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 2380.0 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2372.3 | Semi standard non polar | 33892256 | Ribonic acid,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2365.7 | Semi standard non polar | 33892256 | Ribonic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 2621.1 | Semi standard non polar | 33892256 | Ribonic acid,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C | 2605.9 | Semi standard non polar | 33892256 | Ribonic acid,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2585.8 | Semi standard non polar | 33892256 | Ribonic acid,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2585.8 | Semi standard non polar | 33892256 | Ribonic acid,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2577.1 | Semi standard non polar | 33892256 | Ribonic acid,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2806.6 | Semi standard non polar | 33892256 |
|
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental GC-MS | GC-MS Spectrum - Ribonic acid GC-MS (5 TMS) | splash10-0uxu-0982000000-ab22e7a6a2eb08d6279a | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ribonic acid GC-MS (Non-derivatized) | splash10-0uxu-0982000000-ab22e7a6a2eb08d6279a | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-0bt9-9100000000-02fb307ca31012b94031 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (5 TMS) - 70eV, Positive | splash10-01ri-9010530000-40d9e84d0d0c46398d44 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ribonic acid GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-06 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 10V, Positive-QTOF | splash10-00kb-2900000000-b6cee97a84e3fe6dba8f | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 20V, Positive-QTOF | splash10-03dl-9300000000-c20972535a09871dcd9e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 40V, Positive-QTOF | splash10-0bvi-9100000000-ec65026bcaadf2c2041b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 10V, Negative-QTOF | splash10-0l9c-9600000000-3c5073b87a583db97010 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 20V, Negative-QTOF | splash10-0abl-9300000000-1a04263b3192e1a794a4 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 40V, Negative-QTOF | splash10-0a4i-9000000000-c584f09dbd4fe2b8e198 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 10V, Positive-QTOF | splash10-01qd-8900000000-193a9d85b5228b795379 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 20V, Positive-QTOF | splash10-01ox-9100000000-8bec414894d0d33fe015 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 40V, Positive-QTOF | splash10-03dl-9000000000-c73340de3d69564bbdc5 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 10V, Negative-QTOF | splash10-00os-9600000000-83177518f1e5617846aa | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 20V, Negative-QTOF | splash10-0a6r-9000000000-de3c726e9afb017f60dd | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ribonic acid 40V, Negative-QTOF | splash10-0006-9000000000-bf22d6377249e618e793 | 2021-09-23 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
|
---|
General References | - Roux A, Xu Y, Heilier JF, Olivier MF, Ezan E, Tabet JC, Junot C: Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer. Anal Chem. 2012 Aug 7;84(15):6429-37. doi: 10.1021/ac300829f. Epub 2012 Jul 17. [PubMed:22770225 ]
- Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
|
---|