Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2005-11-16 15:48:42 UTC |
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Update Date | 2023-07-07 20:53:57 UTC |
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HMDB ID | HMDB0000177 |
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Secondary Accession Numbers | - HMDB0003412
- HMDB00177
- HMDB03412
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Metabolite Identification |
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Common Name | Histidine |
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Description | Histidine (His), also known as L-histidine, 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. Histidine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Histidine is found in all organisms ranging from bacteria to plants to animals. It is classified as an aliphatic, positively charged or basic amino acid. Histidine is a unique amino acid with an imidazole functional group. The acid-base properties of the imidazole side chain are relevant to the catalytic mechanism of many enzymes such as proteases. In catalytic triads, the basic nitrogen of histidine abstracts a proton from serine, threonine, or cysteine to activate it as a nucleophile. In a histidine proton shuttle, histidine is used to quickly shuttle protons. It can do this by abstracting a proton with its basic nitrogen to make a positively charged intermediate and then use another molecule to extract the proton from its acidic nitrogen. Histidine forms complexes with many metal ions. The imidazole sidechain of the histidine residue commonly serves as a ligand in metalloproteins. Histidine was first isolated by German physician Albrecht Kossel in 1896. Histidine is an essential amino acid in humans and other mammals. It was initially thought that it was only essential for infants, but longer-term studies established that it is also essential for adults. Infants four to six months old require 33 mg/kg of histidine. It is not clear how adults make small amounts of histidine, and dietary sources probably account for most of the histidine in the body. Histidine is a precursor for histamine and carnosine biosynthesis. Inborn errors of histidine metabolism, including histidinemia, maple syrup urine disease, propionic acidemia, and tyrosinemia I, exist and are marked by increased histidine levels in the blood. Elevated blood histidine is accompanied by a wide range of symptoms, from mental and physical retardation to poor intellectual functioning, emotional instability, tremor, ataxia and psychosis. Histidine and other imidazole compounds have anti-oxidant, anti-inflammatory and anti-secretory properties (PMID: 9605177 ). The efficacy of L-histidine in protecting inflamed tissue is attributed to the capacity of the imidazole ring to scavenge reactive oxygen species (ROS) generated by cells during acute inflammatory response (PMID: 9605177 ). Histidine, when administered in therapeutic quantities is able to inhibit cytokines and growth factors involved in cell and tissue damage (US patent 6150392). Histidine in medical therapies has its most promising trials in rheumatoid arthritis where up to 4.5 g daily have been used effectively in severely affected patients. Arthritis patients have been found to have low serum histidine levels, apparently because of very rapid removal of histidine from their blood (PMID: 1079527 ). Other patients besides arthritis patients that have been found to be low in serum histidine are those with chronic renal failure. Urinary levels of histidine are reduced in pediatric patients with pneumonia (PMID: 2084459 ). Asthma patients exhibit increased serum levels of histidine over normal controls (PMID: 23517038 ). Serum histidine levels are lower and are negatively associated with inflammation and oxidative stress in obese women (PMID: 23361591 ). Histidine supplementation has been shown to reduce insulin resistance, reduce BMI and fat mass and suppress inflammation and oxidative stress in obese women with metabolic syndrome. Histidine appears to suppress pro-inflammatory cytokine expression, possibly via the NF-κB pathway, in adipocytes (PMID: 23361591 ). Low plasma concentrations of histidine are associated with protein-energy wasting, inflammation, oxidative stress, and greater mortality in chronic kidney disease patients (PMID: 18541578 ). Histidine may have many other possible functions because it is the precursor of the ubiquitous neurohormone-neurotransmitter histamine. Histidine increases histamine in the blood and probably in the brain. Low blood histamine with low serum histidine occurs in rheumatoid arthritis patients. Low blood histamine also occurs in some manic, schizophrenic, high copper and hyperactive groups of psychiatric patients. Histidine is a useful therapy in all patients with low histamine levels (http://www.dcnutrition.com). |
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Structure | N[C@@H](CC1=CNC=N1)C(O)=O InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 |
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Synonyms | Value | Source |
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(S)-4-(2-Amino-2-carboxyethyl)imidazole | ChEBI | (S)-alpha-Amino-1H-imidazole-4-propanoic acid | ChEBI | (S)-alpha-Amino-1H-imidazole-4-propionic acid | ChEBI | H | ChEBI | His | ChEBI | HISTIDINE | ChEBI | L-(-)-Histidine | ChEBI | L-Histidin | ChEBI | (S)-a-Amino-1H-imidazole-4-propanoate | Generator | (S)-a-Amino-1H-imidazole-4-propanoic acid | Generator | (S)-alpha-Amino-1H-imidazole-4-propanoate | Generator | (S)-Α-amino-1H-imidazole-4-propanoate | Generator | (S)-Α-amino-1H-imidazole-4-propanoic acid | Generator | (S)-a-Amino-1H-imidazole-4-propionate | Generator | (S)-a-Amino-1H-imidazole-4-propionic acid | Generator | (S)-alpha-Amino-1H-imidazole-4-propionate | Generator | (S)-Α-amino-1H-imidazole-4-propionate | Generator | (S)-Α-amino-1H-imidazole-4-propionic acid | Generator | (S)-1H-Imidazole-4-alanine | HMDB | (S)-2-Amino-3-(4-imidazolyl)propionsaeure | HMDB | (S)-Histidine | HMDB | (S)1H-Imidazole-4-alanine | HMDB | 3-(1H-Imidazol-4-yl)-L-alanine | HMDB | Amino-1H-imidazole-4-propanoate | HMDB | Amino-1H-imidazole-4-propanoic acid | HMDB | Amino-4-imidazoleproprionate | HMDB | Amino-4-imidazoleproprionic acid | HMDB | Glyoxaline-5-alanine | HMDB | Histidine, L isomer | HMDB | Histidine, L-isomer | HMDB | L-Isomer histidine | HMDB | L-Histidine | KEGG |
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Chemical Formula | C6H9N3O2 |
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Average Molecular Weight | 155.1546 |
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Monoisotopic Molecular Weight | 155.069476547 |
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IUPAC Name | (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid |
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Traditional Name | L-histidine |
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CAS Registry Number | 71-00-1 |
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SMILES | N[C@@H](CC1=CNC=N1)C(O)=O |
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InChI Identifier | InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 |
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InChI Key | HNDVDQJCIGZPNO-YFKPBYRVSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Histidine and derivatives |
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Alternative Parents | |
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Substituents | - Histidine or derivatives
- Alpha-amino acid
- L-alpha-amino acid
- Imidazolyl carboxylic acid derivative
- Aralkylamine
- Azole
- Imidazole
- Heteroaromatic compound
- Amino acid
- Carboxylic acid
- Azacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Primary amine
- Primary aliphatic amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- Organic oxygen compound
- Amine
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | |
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Disposition | Biological locationSourceExogenous- Exogenous (HMDB: HMDB0000177)
FoodAnimal originHerb and spiceVegetableFruitNutCereal and cereal productPulseGourdCoffee and coffee productSoyTeaDishBaking goodEggBeverageAquatic originConfectioneryMilk and milk productOther milk productFermented milkFermented 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)
Fat and oilCocoa and cocoa productBaby foodUnclassified food or beverageSnack
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Process | |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 287 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 45.6 mg/mL | Not Available | LogP | -3.32 | CHMELIK,J ET AL. (1991) |
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Experimental Chromatographic Properties | Experimental Collision Cross Sections |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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L-Histidine,1TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C[NH]1 | 1694.1 | Semi standard non polar | 33892256 | L-Histidine,1TMS,isomer #2 | C[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O | 1804.7 | Semi standard non polar | 33892256 | L-Histidine,1TMS,isomer #3 | C[Si](C)(C)N1C=NC=C1C[C@H](N)C(=O)O | 1859.3 | Semi standard non polar | 33892256 | L-Histidine,2TMS,isomer #1 | C[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C | 1778.3 | Semi standard non polar | 33892256 | L-Histidine,2TMS,isomer #1 | C[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C | 1836.6 | Standard non polar | 33892256 | L-Histidine,2TMS,isomer #1 | C[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C | 2385.1 | Standard polar | 33892256 | L-Histidine,2TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C | 1856.5 | Semi standard non polar | 33892256 | L-Histidine,2TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C | 1801.7 | Standard non polar | 33892256 | L-Histidine,2TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C | 2504.8 | Standard polar | 33892256 | L-Histidine,2TMS,isomer #3 | C[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C | 1911.9 | Semi standard non polar | 33892256 | L-Histidine,2TMS,isomer #3 | C[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C | 1927.2 | Standard non polar | 33892256 | L-Histidine,2TMS,isomer #3 | C[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C | 2536.1 | Standard polar | 33892256 | L-Histidine,2TMS,isomer #4 | C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O | 1918.3 | Semi standard non polar | 33892256 | L-Histidine,2TMS,isomer #4 | C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O | 1827.6 | Standard non polar | 33892256 | L-Histidine,2TMS,isomer #4 | C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O | 2501.0 | Standard polar | 33892256 | L-Histidine,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C | 1938.6 | Semi standard non polar | 33892256 | L-Histidine,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C | 1959.4 | Standard non polar | 33892256 | L-Histidine,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C | 2231.5 | Standard polar | 33892256 | L-Histidine,3TMS,isomer #2 | C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1941.1 | Semi standard non polar | 33892256 | L-Histidine,3TMS,isomer #2 | C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1856.2 | Standard non polar | 33892256 | L-Histidine,3TMS,isomer #2 | C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C | 2187.4 | Standard polar | 33892256 | L-Histidine,3TMS,isomer #3 | C[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 2065.9 | Semi standard non polar | 33892256 | L-Histidine,3TMS,isomer #3 | C[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 1975.4 | Standard non polar | 33892256 | L-Histidine,3TMS,isomer #3 | C[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 2310.6 | Standard polar | 33892256 | L-Histidine,4TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 2129.7 | Semi standard non polar | 33892256 | L-Histidine,4TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 2011.6 | Standard non polar | 33892256 | L-Histidine,4TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 2116.0 | Standard polar | 33892256 | L-Histidine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C[NH]1 | 1926.3 | Semi standard non polar | 33892256 | L-Histidine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O | 2025.1 | Semi standard non polar | 33892256 | L-Histidine,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N1C=NC=C1C[C@H](N)C(=O)O | 2140.1 | Semi standard non polar | 33892256 | L-Histidine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C | 2219.9 | Semi standard non polar | 33892256 | L-Histidine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C | 2293.0 | Standard non polar | 33892256 | L-Histidine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C | 2523.7 | Standard polar | 33892256 | L-Histidine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C(C)(C)C | 2356.2 | Semi standard non polar | 33892256 | L-Histidine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C(C)(C)C | 2258.0 | Standard non polar | 33892256 | L-Histidine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C(C)(C)C | 2593.9 | Standard polar | 33892256 | L-Histidine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C | 2332.5 | Semi standard non polar | 33892256 | L-Histidine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C | 2369.5 | Standard non polar | 33892256 | L-Histidine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C | 2607.4 | Standard polar | 33892256 | L-Histidine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O | 2427.2 | Semi standard non polar | 33892256 | L-Histidine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O | 2276.5 | Standard non polar | 33892256 | L-Histidine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O | 2578.1 | Standard polar | 33892256 | L-Histidine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2588.3 | Semi standard non polar | 33892256 | L-Histidine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2584.0 | Standard non polar | 33892256 | L-Histidine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2487.9 | Standard polar | 33892256 | L-Histidine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2611.9 | Semi standard non polar | 33892256 | L-Histidine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2507.3 | Standard non polar | 33892256 | L-Histidine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2456.0 | Standard polar | 33892256 | L-Histidine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 2745.5 | Semi standard non polar | 33892256 | L-Histidine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 2591.8 | Standard non polar | 33892256 | L-Histidine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 2528.2 | Standard polar | 33892256 | L-Histidine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2961.0 | Semi standard non polar | 33892256 | L-Histidine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2808.9 | Standard non polar | 33892256 | L-Histidine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2484.2 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-0udi-0940000000-43b9b035189af65e19cb | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-0udi-0910000000-fc3ecec9d4ff3aa8cb09 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized) | splash10-0udi-0910000000-8284a673a35f7ac2241f | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-0fk9-8910000000-a3231b1a418b5798ecac | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-MS (3 TMS) | splash10-0udi-1920000000-227e8116769731104e82 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-MS (4 TMS) | splash10-0ufu-2942100000-31605fd50ecc1f5be0ed | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Non-derivatized) | splash10-0udi-0940000000-43b9b035189af65e19cb | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Non-derivatized) | splash10-0udi-0910000000-fc3ecec9d4ff3aa8cb09 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Non-derivatized) | splash10-0udi-0910000000-8284a673a35f7ac2241f | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-QQ (Non-derivatized) | splash10-0002-2901100000-ae0f3865934743de764c | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Non-derivatized) | splash10-0fk9-8910000000-a3231b1a418b5798ecac | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-MS (Non-derivatized) | splash10-0udi-1920000000-227e8116769731104e82 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-MS (Non-derivatized) | splash10-0ufu-2942100000-31605fd50ecc1f5be0ed | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Non-derivatized) | splash10-0ue9-0900000000-75e38a3f347210c301b0 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Histidine GC-EI-TOF (Non-derivatized) | splash10-0udi-0910000000-c54bd92cc112eec7e509 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Histidine GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-9500000000-1d29684ccb6383687865 | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Histidine GC-MS (1 TMS) - 70eV, Positive | splash10-03di-6900000000-1dd400a16b8067f4daea | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Histidine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Histidine GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Histidine GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Histidine GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Histidine GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Histidine GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-001i-9100000000-ae0a0b81669663b3b4a5 | 2018-05-25 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-0a4i-0900000000-21530fac9975dc1edc7c | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-053r-9300000000-a946c375931adb366aae | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-053r-9000000000-61a3602d80bc0d54c579 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0a4i-0900000000-7d63b501889c2628f4f0 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-001i-0900000000-d4ccd4e44ca818b4cb17 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0a4i-0900000000-811aee5724fe0999c134 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0a4i-2900000000-052753eb699ae7cb4cb9 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0a4i-0900000000-3e145a05e6a71a0a2f56 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0a4i-0900000000-143a4b9d88183bc5abe7 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-03di-0900000000-a8c213472da676a241f2 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-001i-0900000000-dfdf9562f155abb5fdeb | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-0uk9-0879331100-8434b5b9e7e5700c2353 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-000i-0900000000-aaaaadcecd4cd7c94e1e | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-0udi-0900000000-90c4cbd09d7abc003013 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-0udi-0900000000-1381708d18c24486773d | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-0w29-0696321100-eb62fc608270d1151707 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-000i-0900000000-3450566ff38e6506a70f | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-01q9-7900000000-124509a66476629ce10a | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-0udi-0900000000-efa6a21b1be16fda0802 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOF | splash10-0udi-0900000000-137840e69da48c6114e4 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOF | splash10-0udu-3900000000-06d50e90c797793a72d7 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOF | splash10-0006-9100000000-de7c9eb8068ef4f39f85 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOF | splash10-00l6-9000000000-ebf778679d4c6d6a6057 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOF | splash10-014i-9000000000-08d0188684283d1b2372 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Histidine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF | splash10-0a4i-0900000000-46c2f608d27f0381a039 | 2012-08-31 | HMDB team, MONA | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Experimental 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | 2021-10-10 | Wishart Lab | View Spectrum | Experimental 1D NMR | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | 2021-10-10 | Wishart Lab | View Spectrum | Experimental 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | 2021-10-10 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | 2012-12-05 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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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 |
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