Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2012-09-11 19:11:23 UTC |
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Update Date | 2023-02-21 17:24:11 UTC |
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HMDB ID | HMDB0034365 |
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Secondary Accession Numbers | - HMDB0062764
- HMDB34365
- HMDB62764
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Metabolite Identification |
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Common Name | L-Theanine |
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Description | L-Theanine, also known as L-gamma-glutamylethylamide or N-gamma-ethyl-L-glutamine, is a member of the class of compounds known as glutamine and derivatives. These compounds contain glutamine or a derivative thereof resulting from a reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-Theanine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). L-Theanine can be found in saliva. The regulatory status of theanine varies by country. In Japan, L-theanine has been approved for use in all foods, including herb teas, soft drinks, and desserts. Restrictions apply to infant foods. In the United States, the Food and Drug Administration (FDA) considers it to be generally recognized as safe (GRAS) and allows its sale as a dietary supplement. The German Federal Institute for Risk Assessment, an agency of their Federal Ministry of Food and Agriculture, objects to the addition of L-theanine to beverages. The European Food Safety Authority EFSA advised negatively on health claims related to L-theanine and cognitive function, alleviation of psychological stress, maintenance of normal sleep, and reduction of menstrual discomfort. Therefore, health claims for L-theanine are prohibited in the European Union (Wikipedia ). L-Theanine is found in mushrooms and is a constituent of tea (Thea sinensis) and of the fungus Imleria badia. L-Theanine has been shown to exhibit neuroprotectant and neuroprotective functions (PMID: 20416364 , 20416364 ). |
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Structure | [H][C@](N)(CCC(O)=NCC)C(O)=O InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 |
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Synonyms | Value | Source |
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N5-Ethyl-L-glutamine | ChEBI | gamma-Glutamylethylamide | HMDB | Theanine, (D)-isomer | HMDB | L-Glutamic acid-gamma-ethylamide | HMDB | Theanine, (DL)-isomer | HMDB | delta-Glutamylethylamide | HMDB | Theanine, (L)-isomer | HMDB | (+)-Theanine | HMDB | L-gamma-Glutamylethylamide | HMDB | L-Γ-glutamylethylamide | HMDB | N-gamma-Ethyl-L-glutamine | HMDB | N-Γ-ethyl-L-glutamine | HMDB | Nγ-ethyl-L-glutamine | HMDB | Suntheanine | HMDB | Theanin | HMDB | N(5)-Ethyl-L-glutamine | HMDB | Theanine | HMDB | L-Theanine | ChEBI |
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Chemical Formula | C7H14N2O3 |
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Average Molecular Weight | 174.1977 |
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Monoisotopic Molecular Weight | 174.100442324 |
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IUPAC Name | (2S)-2-amino-4-(ethylcarbamoyl)butanoic acid |
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Traditional Name | theanine |
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CAS Registry Number | 3081-61-6 |
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SMILES | [H][C@](N)(CCC(O)=NCC)C(O)=O |
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InChI Identifier | InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 |
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InChI Key | DATAGRPVKZEWHA-YFKPBYRVSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine 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 | Glutamine and derivatives |
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Alternative Parents | |
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Substituents | - Glutamine or derivatives
- Alpha-amino acid
- L-alpha-amino acid
- Fatty amide
- N-acyl-amine
- Fatty acid
- Fatty acyl
- Carboxamide group
- Secondary carboxylic acid amide
- Amino acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic nitrogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Amine
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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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-Theanine,1TMS,isomer #1 | CCNC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C | 1710.9 | Semi standard non polar | 33892256 | L-Theanine,1TMS,isomer #2 | CCNC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O | 1774.4 | Semi standard non polar | 33892256 | L-Theanine,1TMS,isomer #3 | CCN(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C | 1775.5 | Semi standard non polar | 33892256 | L-Theanine,2TMS,isomer #1 | CCNC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1830.4 | Semi standard non polar | 33892256 | L-Theanine,2TMS,isomer #1 | CCNC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1784.1 | Standard non polar | 33892256 | L-Theanine,2TMS,isomer #2 | CCN(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 1733.9 | Semi standard non polar | 33892256 | L-Theanine,2TMS,isomer #2 | CCN(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 1837.4 | Standard non polar | 33892256 | L-Theanine,2TMS,isomer #3 | CCN(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 1841.3 | Semi standard non polar | 33892256 | L-Theanine,2TMS,isomer #3 | CCN(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 1818.1 | Standard non polar | 33892256 | L-Theanine,2TMS,isomer #4 | CCNC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1941.2 | Semi standard non polar | 33892256 | L-Theanine,2TMS,isomer #4 | CCNC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1823.0 | Standard non polar | 33892256 | L-Theanine,3TMS,isomer #1 | CCN(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 1822.6 | Semi standard non polar | 33892256 | L-Theanine,3TMS,isomer #1 | CCN(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 1887.4 | Standard non polar | 33892256 | L-Theanine,3TMS,isomer #2 | CCNC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1973.2 | Semi standard non polar | 33892256 | L-Theanine,3TMS,isomer #2 | CCNC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1891.4 | Standard non polar | 33892256 | L-Theanine,3TMS,isomer #3 | CCN(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1970.4 | Semi standard non polar | 33892256 | L-Theanine,3TMS,isomer #3 | CCN(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1954.2 | Standard non polar | 33892256 | L-Theanine,4TMS,isomer #1 | CCN(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1980.0 | Semi standard non polar | 33892256 | L-Theanine,4TMS,isomer #1 | CCN(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1994.4 | Standard non polar | 33892256 | L-Theanine,1TBDMS,isomer #1 | CCNC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C | 1978.7 | Semi standard non polar | 33892256 | L-Theanine,1TBDMS,isomer #2 | CCNC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O | 2036.7 | Semi standard non polar | 33892256 | L-Theanine,1TBDMS,isomer #3 | CCN(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C | 1989.2 | Semi standard non polar | 33892256 | L-Theanine,2TBDMS,isomer #1 | CCNC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2300.1 | Semi standard non polar | 33892256 | L-Theanine,2TBDMS,isomer #1 | CCNC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2209.9 | Standard non polar | 33892256 | L-Theanine,2TBDMS,isomer #2 | CCN(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2188.8 | Semi standard non polar | 33892256 | L-Theanine,2TBDMS,isomer #2 | CCN(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2258.2 | Standard non polar | 33892256 | L-Theanine,2TBDMS,isomer #3 | CCN(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 2322.0 | Semi standard non polar | 33892256 | L-Theanine,2TBDMS,isomer #3 | CCN(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 2239.8 | Standard non polar | 33892256 | L-Theanine,2TBDMS,isomer #4 | CCNC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2411.8 | Semi standard non polar | 33892256 | L-Theanine,2TBDMS,isomer #4 | CCNC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2250.1 | Standard non polar | 33892256 | L-Theanine,3TBDMS,isomer #1 | CCN(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2496.8 | Semi standard non polar | 33892256 | L-Theanine,3TBDMS,isomer #1 | CCN(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2482.7 | Standard non polar | 33892256 | L-Theanine,3TBDMS,isomer #2 | CCNC(=O)CC[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 | 2652.6 | Semi standard non polar | 33892256 | L-Theanine,3TBDMS,isomer #2 | CCNC(=O)CC[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 | 2504.3 | Standard non polar | 33892256 | L-Theanine,3TBDMS,isomer #3 | CCN(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2642.5 | Semi standard non polar | 33892256 | L-Theanine,3TBDMS,isomer #3 | CCN(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2543.7 | Standard non polar | 33892256 | L-Theanine,4TBDMS,isomer #1 | CCN(C(=O)CC[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)[Si](C)(C)C(C)(C)C | 2858.3 | Semi standard non polar | 33892256 | L-Theanine,4TBDMS,isomer #1 | CCN(C(=O)CC[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)[Si](C)(C)C(C)(C)C | 2745.2 | Standard non 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 - L-Theanine GC-MS (3 TMS) | splash10-05ai-1910000000-036caaf79935b62dafb8 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - L-Theanine GC-MS (2 TMS) | splash10-0ik9-2920000000-b4175a19d175fc2dfaab | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Theanine GC-MS (Non-derivatized) - 70eV, Positive | splash10-054o-9200000000-ad824a92c4a91b92d3be | 2017-08-28 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Theanine GC-MS (2 TMS) - 70eV, Positive | splash10-0kmr-9420000000-fd2f30cc6e3beb84fc83 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Theanine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | 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 - L-Theanine LC-ESI-QQ , negative-QTOF | splash10-00di-0900000000-5d75f1c18d21692a3a7a | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine LC-ESI-QQ , negative-QTOF | splash10-0a4i-1900000000-30f94d8454c885920222 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine LC-ESI-QQ , negative-QTOF | splash10-001i-9300000000-533425b383afd6ea8b10 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine LC-ESI-QQ , negative-QTOF | splash10-0089-9000000000-cd51416fce1d90ca5a32 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine LC-ESI-QQ , negative-QTOF | splash10-001l-9000000000-d11379cff212e4305279 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine LC-ESI-QQ , positive-QTOF | splash10-0a59-4900000000-233828d22b124785b538 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine LC-ESI-QQ , positive-QTOF | splash10-001i-9100000000-c68d3e3853f38b6441eb | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine LC-ESI-QQ , positive-QTOF | splash10-001i-9000000000-1d437318f6185e9abed1 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine LC-ESI-QQ , positive-QTOF | splash10-053r-9000000000-f98a061445440bd8d92f | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine 35V, Negative-QTOF | splash10-0pi9-4900000000-bc5d761afc2906c70f9a | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - L-Theanine 35V, Positive-QTOF | splash10-001i-9400000000-a38f88002cc84f835dbf | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 10V, Positive-QTOF | splash10-002f-7900000000-700a74673280513b750a | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 20V, Positive-QTOF | splash10-0006-9300000000-c05118c6382a21ee49c6 | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 40V, Positive-QTOF | splash10-0006-9000000000-5900d952e786b1c37b5c | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 10V, Negative-QTOF | splash10-00di-1900000000-ba1082ef889273ac4dec | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 20V, Negative-QTOF | splash10-05i3-4900000000-74c4e555cb1b6dd5de58 | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 40V, Negative-QTOF | splash10-0006-9100000000-854bf36c0c647d7b14a4 | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 10V, Negative-QTOF | splash10-0bt9-0900000000-8ab94ce283e2c855565c | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 20V, Negative-QTOF | splash10-05fr-4900000000-f58dee8213166ad39be4 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 40V, Negative-QTOF | splash10-0006-9000000000-ead54ac3cc631ccf43b3 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 10V, Positive-QTOF | splash10-004i-3900000000-6f8b15731e34783f4301 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 20V, Positive-QTOF | splash10-001i-9300000000-1c6627be4cfa6191919a | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Theanine 40V, Positive-QTOF | splash10-0a59-9100000000-20b79ebdc4f84490ec0f | 2021-09-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | 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]-) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-04 | FELIX lab | View Spectrum |
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