Record Information |
---|
Version | 5.0 |
---|
Status | Detected and Quantified |
---|
Creation Date | 2005-11-16 15:48:42 UTC |
---|
Update Date | 2023-05-30 20:55:56 UTC |
---|
HMDB ID | HMDB0000191 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | L-Aspartic acid |
---|
Description | Aspartic acid (Asp), also known as L-aspartic acid or as aspartate, the name of its anion, is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Amino acids are organic compounds that contain amino (-NH2) and carboxyl (-COOH) functional groups, along with a side chain (R group) specific to each amino acid. L-aspartic acid is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Aspartic acid is found in all organisms ranging from bacteria to plants to animals. It is classified as an acidic, charged (at physiological pH), aliphatic amino acid. In humans, aspartic acid is a nonessential amino acid derived from glutamic acid by enzymes using vitamin B6. However, in the human body, aspartate is most frequently synthesized through the transamination of oxaloacetate. A non-essential amino acid is an amino acid that can be synthesized from central metabolic pathway intermediates in humans and is not required in the diet. As its name indicates, aspartic acid is the carboxylic acid analog of asparagine. The D-isomer of aspartic acid (D-aspartic acid) is one of two D-amino acids commonly found in mammals. Aspartic acid was first discovered in 1827 by Auguste-Arthur Plisson and Étienne Ossian Henry by hydrolysis of asparagine, which had been isolated from asparagus juice in 1806. Aspartate has many biochemical roles. It is a neurotransmitter, a metabolite in the urea cycle and it participates in gluconeogenesis. It carries reducing equivalents in the malate-aspartate shuttle, which utilizes the ready interconversion of aspartate and oxaloacetate, which is the oxidized (dehydrogenated) derivative of malic acid. Aspartate donates one nitrogen atom in the biosynthesis of inosine, the precursor to the purine bases which are key to DNA biosynthesis. In addition, aspartic acid acts as a hydrogen acceptor in a chain of ATP synthase. Aspartic acid is a major excitatory neurotransmitter, which is sometimes found to be increased in epileptic and stroke patients. It is decreased in depressed patients and in patients with brain atrophy. As a neurotransmitter, aspartic acid may provide resistance to fatigue and thus lead to endurance, although the evidence to support this idea is not strong (Wikipedia ). Aspartic acid supplements are being evaluated. Five grams can raise blood levels. Magnesium and zinc may be natural inhibitors of some of the actions of aspartic acid. Aspartic acid, when chemically coupled with the amino acid D-phenylalanine, is a part of a natural sweetener, aspartame. This sweetener is an advance in artificial sweeteners, and is probably safe in normal doses to all except phenylketonurics. Aspartic acid may be a significant immunostimulant of the thymus and can protect against some of the damaging effects of radiation. Aspartic acid is found in higher abundance in: oysters, luncheon meats, sausage meat, wild game, sprouting seeds, oat flakes, avocado, asparagus, young sugarcane, and molasses from sugar beets. |
---|
Structure | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
---|
Synonyms | Value | Source |
---|
(S)-2-Aminobutanedioic acid | ChEBI | (S)-2-Aminosuccinic acid | ChEBI | 2-Aminosuccinic acid | ChEBI | Asp | ChEBI | ASPARTIC ACID | ChEBI | D | ChEBI | L-Asparaginsaeure | ChEBI | L-Asp | Kegg | (S)-2-Aminobutanedioate | Generator | (S)-2-Aminosuccinate | Generator | 2-Aminosuccinate | Generator | ASPARTate | Generator | L-Aspartate | Generator | (+)-Aspartate | HMDB | (+)-Aspartic acid | HMDB | (2S)-Aspartate | HMDB | (2S)-Aspartic acid | HMDB | (L)-Aspartate | HMDB | (L)-Aspartic acid | HMDB | (R)-2-Aminosuccinate | HMDB | (S)-(+)-Aspartate | HMDB | (S)-(+)-Aspartic acid | HMDB | (S)-Amino-butanedioate | HMDB | (S)-Amino-butanedioic acid | HMDB | (S)-Aminobutanedioate | HMDB | (S)-Aminobutanedioic acid | HMDB | (S)-Aspartate | HMDB | (S)-Aspartic acid | HMDB | 2-Amino-3-methylsuccinate | HMDB | 2-Amino-3-methylsuccinic acid | HMDB | alpha-Aminosuccinate | HMDB | alpha-Aminosuccinic acid | HMDB | Aminosuccinate | HMDB | Asparagate | HMDB | Asparagic acid | HMDB | Asparaginate | HMDB | Asparaginic acid | HMDB | Asparatate | HMDB | H-Asp-OH | HMDB | L-(+)-Aspartate | HMDB | L-(+)-Aspartic acid | HMDB | L-Aminosuccinate | HMDB | L-Aminosuccinic acid | HMDB | L-Asparagate | HMDB | L-Asparagic acid | HMDB | L-Asparaginate | HMDB | L-Asparaginic acid | HMDB | (+-)-Aspartic acid | HMDB | (R,S)-Aspartic acid | HMDB | Aspartate, disodium | HMDB | Aspartate, magnesium | HMDB | Aspartate, monopotassium | HMDB | Aspartic acid, dipotassium salt | HMDB | Aspartic acid, hydrobromide | HMDB | Aspartic acid, monopotassium salt | HMDB | Aspartic acid, monosodium salt | HMDB | Aspartic acid, potassium salt | HMDB | L Aspartate | HMDB | MG5Longoral | HMDB | Potassium aspartate | HMDB | Polysuccinimide | HMDB | Ammonium aspartate | HMDB | Aspartate, ammonium | HMDB | Aspartate, calcium | HMDB | Aspartate, monosodium | HMDB | Aspartic acid, calcium salt | HMDB | Aspartic acid, disodium salt | HMDB | Aspartic acid, magnesium (1:1) salt, hydrochloride, trihydrate | HMDB | Dipotassium aspartate | HMDB | Disodium aspartate | HMDB | Hydrochloride, aspartate magnesium | HMDB | Monopotassium aspartate | HMDB | Sodium aspartate | HMDB | Aspartate, dipotassium | HMDB | Aspartic acid, magnesium (2:1) salt | HMDB | Aspartic acid, sodium salt | HMDB | Hydrobromide aspartic acid | HMDB | Magnesium aspartate | HMDB | MG 5 Longoral | HMDB | Monosodium aspartate | HMDB | Aspartate magnesium hydrochloride | HMDB | Aspartate, potassium | HMDB | Aspartate, sodium | HMDB | Aspartic acid, ammonium salt | HMDB | Aspartic acid, hydrochloride | HMDB | Aspartic acid, magnesium-potassium (2:1:2) salt | HMDB | Calcium aspartate | HMDB | Hydrochloride aspartic acid | HMDB | L Aspartic acid | HMDB | Magnesiocard | HMDB | MG-5-Longoral | HMDB | Poly-DL-succinimide | HMDB |
|
---|
Chemical Formula | C4H7NO4 |
---|
Average Molecular Weight | 133.1027 |
---|
Monoisotopic Molecular Weight | 133.037507717 |
---|
IUPAC Name | (2S)-2-aminobutanedioic acid |
---|
Traditional Name | L-aspartic acid |
---|
CAS Registry Number | 56-84-8 |
---|
SMILES | N[C@@H](CC(O)=O)C(O)=O |
---|
InChI Identifier | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
---|
InChI Key | CKLJMWTZIZZHCS-REOHCLBHSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Carboxylic acids and derivatives |
---|
Sub Class | Amino acids, peptides, and analogues |
---|
Direct Parent | Aspartic acid and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Aspartic acid or derivatives
- Alpha-amino acid
- L-alpha-amino acid
- Dicarboxylic acid or derivatives
- Fatty acid
- Amino acid
- Carboxylic acid
- Organic oxide
- Organopnictogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Amine
- Organic nitrogen compound
- Hydrocarbon derivative
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Physiological effect | |
---|
Disposition | Biological locationRoute of exposureSourceEndogenousExogenousFood- Food (HMDB: HMDB0000191)
Animal originHerb and spiceVegetableFruitNutCereal and cereal productPulseGourdCoffee and coffee productSoyDishTeaBaking goodBeverageAquatic originBaby foodUnclassified food or beverageFat and oilMilk and milk productOther milk productFermented milk productUnfermented milk- Milk (Other mammals) (FooDB: FOOD00690)
- Milk (Human) (FooDB: FOOD00666)
- Milk (Cow) (FooDB: FOOD00618)
- Cow milk, pasteurized, vitamin A + D added, 0% fat (FooDB: FOOD00889)
- Cow milk, pasteurized, vitamin A + D added, 1% fat (FooDB: FOOD00890)
- Cow milk, pasteurized, vitamin A + D added, 2% fat (FooDB: FOOD00891)
- Cow milk, pasteurized, vitamin D added, 3.25% fat (FooDB: FOOD00892)
Fermented milk Cocoa and cocoa productSnackConfectioneryEgg
|
---|
Process | |
---|
Role | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | 270 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 5.39 mg/mL | YALKOWSKY,SH & DANNENFELSER,RM (1992) | LogP | -3.89 | CHMELIK,J ET AL. (1991) |
|
---|
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 |
---|
L-Aspartic acid,1TMS,isomer #1 | C[Si](C)(C)OC(=O)C[C@H](N)C(=O)O | 1393.4 | Semi standard non polar | 33892256 | L-Aspartic acid,1TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H](N)CC(=O)O | 1347.9 | Semi standard non polar | 33892256 | L-Aspartic acid,1TMS,isomer #3 | C[Si](C)(C)N[C@@H](CC(=O)O)C(=O)O | 1412.7 | Semi standard non polar | 33892256 | L-Aspartic acid,2TMS,isomer #1 | C[Si](C)(C)OC(=O)C[C@H](N)C(=O)O[Si](C)(C)C | 1413.6 | Semi standard non polar | 33892256 | L-Aspartic acid,2TMS,isomer #2 | C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O | 1504.6 | Semi standard non polar | 33892256 | L-Aspartic acid,2TMS,isomer #3 | C[Si](C)(C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C | 1457.1 | Semi standard non polar | 33892256 | L-Aspartic acid,2TMS,isomer #4 | C[Si](C)(C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C | 1619.8 | Semi standard non polar | 33892256 | L-Aspartic acid,3TMS,isomer #1 | C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1548.8 | Semi standard non polar | 33892256 | L-Aspartic acid,3TMS,isomer #1 | C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1566.3 | Standard non polar | 33892256 | L-Aspartic acid,3TMS,isomer #1 | C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1715.5 | Standard polar | 33892256 | L-Aspartic acid,3TMS,isomer #2 | C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1651.1 | Semi standard non polar | 33892256 | L-Aspartic acid,3TMS,isomer #2 | C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1611.5 | Standard non polar | 33892256 | L-Aspartic acid,3TMS,isomer #2 | C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1863.4 | Standard polar | 33892256 | L-Aspartic acid,3TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1628.8 | Semi standard non polar | 33892256 | L-Aspartic acid,3TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1614.9 | Standard non polar | 33892256 | L-Aspartic acid,3TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1811.5 | Standard polar | 33892256 | L-Aspartic acid,4TMS,isomer #1 | C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1707.3 | Semi standard non polar | 33892256 | L-Aspartic acid,4TMS,isomer #1 | C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1680.4 | Standard non polar | 33892256 | L-Aspartic acid,4TMS,isomer #1 | C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1664.0 | Standard polar | 33892256 | L-Aspartic acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)C(=O)O | 1626.3 | Semi standard non polar | 33892256 | L-Aspartic acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC(=O)O | 1598.8 | Semi standard non polar | 33892256 | L-Aspartic acid,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)C(=O)O | 1672.0 | Semi standard non polar | 33892256 | L-Aspartic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C | 1857.9 | Semi standard non polar | 33892256 | L-Aspartic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O | 1937.4 | Semi standard non polar | 33892256 | L-Aspartic acid,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | 1898.5 | Semi standard non polar | 33892256 | L-Aspartic acid,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C | 2057.2 | Semi standard non polar | 33892256 | L-Aspartic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2153.5 | Semi standard non polar | 33892256 | L-Aspartic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2162.8 | Standard non polar | 33892256 | L-Aspartic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2113.0 | Standard polar | 33892256 | L-Aspartic acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2292.4 | Semi standard non polar | 33892256 | L-Aspartic acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2222.1 | Standard non polar | 33892256 | L-Aspartic acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2173.3 | Standard polar | 33892256 | L-Aspartic acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2301.2 | Semi standard non polar | 33892256 | L-Aspartic acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2201.8 | Standard non polar | 33892256 | L-Aspartic acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2143.9 | Standard polar | 33892256 | L-Aspartic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2544.7 | Semi standard non polar | 33892256 | L-Aspartic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2441.4 | Standard non polar | 33892256 | L-Aspartic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2169.3 | Standard polar | 33892256 |
|
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-0f89-0960000000-5a6a6cb21e9fc0875f84 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-0f89-0950000000-51399a8446c394459765 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-0f89-0950000000-f07e7f52b3c31fd119f5 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-0f89-0950000000-9e175dfa17a8b17a72d2 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized) | splash10-0f89-0950000000-f4475587d5a3b20bfc58 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-00di-9430000000-0cac9a97e698db1672b5 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-MS (2 TMS) | splash10-03yi-1900000000-ea61b8526ee02ae79b66 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-MS (3 TMS) | splash10-0f89-1890000000-7da576c8129142b71a1b | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-MS (4 TMS) | splash10-0pb9-0981000000-ad23d55e348f55115f00 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid EI-B (Non-derivatized) | splash10-001i-0590000000-13cc5a7841854e97f68b | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized) | splash10-0f89-0960000000-5a6a6cb21e9fc0875f84 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized) | splash10-0f89-0950000000-51399a8446c394459765 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized) | splash10-0f89-0950000000-f07e7f52b3c31fd119f5 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized) | splash10-0f89-0950000000-9e175dfa17a8b17a72d2 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized) | splash10-0f89-0950000000-f4475587d5a3b20bfc58 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-QQ (Non-derivatized) | splash10-0g4i-6946100000-0ae49e3be0f2f1f92065 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized) | splash10-00di-9430000000-0cac9a97e698db1672b5 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized) | splash10-03yi-1900000000-ea61b8526ee02ae79b66 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized) | splash10-0f89-1890000000-7da576c8129142b71a1b | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized) | splash10-0pb9-0981000000-ad23d55e348f55115f00 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-000f-9100000000-b7db3377089f4c95001b | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Aspartic acid GC-MS (2 TMS) - 70eV, Positive | splash10-01w4-9610000000-0f1463c6395830708e12 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Aspartic acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Aspartic acid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-0079-9300000000-92f9914d94078d96f5cf | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-00di-9000000000-c467d10f2b7e21ed1734 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-00dl-9000000000-87f0c58226f5a2f3ac8a | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-00di-0900000000-fde7ef1951fddff4b817 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0uk9-8900000000-2d7e5609618437e59272 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-000i-9000000000-4b43567f4a446aed0828 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-014i-4900000000-45382d9abd25be948e5b | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-001i-0900000000-3f39a9b758e282358ac0 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-014i-3900000000-44d361ad09ff9a30dd14 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-000i-9000000000-18e1dba62e6b803e17b8 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0002-0930000000-d97f9518a2d516d830c5 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-02ai-0962100000-909bb894b2c1318afee4 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-00di-9000000000-f2059dd438fcf62f62e1 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-03dr-7900000000-8b7b89ed34530e331024 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-014i-0190000000-58a78949f4b93de22aab | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-001i-0921000000-214b6b969fdc4216ca71 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-03dr-6900000000-4918748927dd097d2879 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-001i-0900000000-88dc2f1093f261e76201 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-004i-0290000000-a8856f56645a2961baac | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOF | splash10-001i-0900000000-8cf9870557ca9adc3374 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOF | splash10-000i-9400000000-81b2804a712625a2d9c4 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOF | splash10-000i-9000000000-9bf77ba12ad952f84ac0 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOF | splash10-00di-9000000000-e08bfb96c5fd8c9b9db7 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOF | splash10-0006-9000000000-876e30f6c9ed061091fe | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF | splash10-00dl-9000000000-6c0d44d4e3853e5701a3 | 2012-08-31 | HMDB team, MONA | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Experimental 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | 2012-12-04 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Experimental 1D NMR | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | 2021-10-10 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 400 MHz, H2O, experimental) | 2012-12-05 | 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 |
|
---|