Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2013-05-17 01:23:31 UTC |
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Update Date | 2022-03-07 03:17:45 UTC |
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HMDB ID | HMDB0060475 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | DL-Glutamate |
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Description | DL-Glutamate, also known as E or DL-glutamic acid, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). DL-Glutamate exists in all living organisms, ranging from bacteria to humans. DL-Glutamate is found, on average, in the highest concentration within a few different foods, such as red bell peppers, milk (cow), and wheats and in a lower concentration in eggplants, romaine lettuces, and nanking cherries. DL-Glutamate has also been detected, but not quantified, in a few different foods, such as apples, broccoli, and lettuces. |
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Structure | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) |
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Synonyms | Value | Source |
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2-Aminoglutaric acid | ChEBI | DL-Glutamic acid | ChEBI | DL-Glutaminic acid | ChEBI | E | ChEBI | Glu | ChEBI | Glutamate | ChEBI | Glutaminic acid | ChEBI | Glutaminsaeure | ChEBI | 2-Aminoglutarate | Generator | DL-Glutaminate | Generator | Glutamic acid | Generator | Glutaminate | Generator | D-Glutamate | HMDB | L Glutamate | HMDB | L Glutamic acid | HMDB | D Glutamate | HMDB | Glutamate, potassium | HMDB | Glutamic acid, (D)-isomer | HMDB | L-Glutamate | HMDB | L-Glutamic acid | HMDB | Aluminum L glutamate | HMDB | Aluminum L-glutamate | HMDB | L-Glutamate, aluminum | HMDB | Potassium glutamate | HMDB | DL-Glutamate | Generator |
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Chemical Formula | C5H9NO4 |
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Average Molecular Weight | 147.1293 |
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Monoisotopic Molecular Weight | 147.053157781 |
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IUPAC Name | 2-aminopentanedioic acid |
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Traditional Name | glutaminsaeure |
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CAS Registry Number | Not Available |
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SMILES | NC(CCC(O)=O)C(O)=O |
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InChI Identifier | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) |
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InChI Key | WHUUTDBJXJRKMK-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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 | Glutamic acid and derivatives |
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Alternative Parents | |
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Substituents | - Glutamic acid or derivatives
- Alpha-amino acid
- Amino fatty acid
- Dicarboxylic acid or derivatives
- Fatty acid
- Fatty acyl
- Amino acid
- Carboxylic acid
- Organic oxide
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organopnictogen compound
- Carbonyl group
- Organic oxygen compound
- Amine
- Organic nitrogen compound
- 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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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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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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DL-Glutamate,1TMS,isomer #1 | C[Si](C)(C)OC(=O)CCC(N)C(=O)O | 1497.9 | Semi standard non polar | 33892256 | DL-Glutamate,1TMS,isomer #2 | C[Si](C)(C)OC(=O)C(N)CCC(=O)O | 1496.8 | Semi standard non polar | 33892256 | DL-Glutamate,1TMS,isomer #3 | C[Si](C)(C)NC(CCC(=O)O)C(=O)O | 1554.6 | Semi standard non polar | 33892256 | DL-Glutamate,2TMS,isomer #1 | C[Si](C)(C)OC(=O)CCC(N)C(=O)O[Si](C)(C)C | 1518.1 | Semi standard non polar | 33892256 | DL-Glutamate,2TMS,isomer #2 | C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)O | 1623.3 | Semi standard non polar | 33892256 | DL-Glutamate,2TMS,isomer #3 | C[Si](C)(C)NC(CCC(=O)O)C(=O)O[Si](C)(C)C | 1592.6 | Semi standard non polar | 33892256 | DL-Glutamate,2TMS,isomer #4 | C[Si](C)(C)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C | 1772.3 | Semi standard non polar | 33892256 | DL-Glutamate,3TMS,isomer #1 | C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1621.4 | Semi standard non polar | 33892256 | DL-Glutamate,3TMS,isomer #1 | C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1659.0 | Standard non polar | 33892256 | DL-Glutamate,3TMS,isomer #1 | C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1785.5 | Standard polar | 33892256 | DL-Glutamate,3TMS,isomer #2 | C[Si](C)(C)OC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1814.5 | Semi standard non polar | 33892256 | DL-Glutamate,3TMS,isomer #2 | C[Si](C)(C)OC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1713.5 | Standard non polar | 33892256 | DL-Glutamate,3TMS,isomer #2 | C[Si](C)(C)OC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1971.9 | Standard polar | 33892256 | DL-Glutamate,3TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1778.6 | Semi standard non polar | 33892256 | DL-Glutamate,3TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1697.5 | Standard non polar | 33892256 | DL-Glutamate,3TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1942.0 | Standard polar | 33892256 | DL-Glutamate,4TMS,isomer #1 | C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1819.7 | Semi standard non polar | 33892256 | DL-Glutamate,4TMS,isomer #1 | C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1768.6 | Standard non polar | 33892256 | DL-Glutamate,4TMS,isomer #1 | C[Si](C)(C)OC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1751.4 | Standard polar | 33892256 | DL-Glutamate,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)O | 1751.6 | Semi standard non polar | 33892256 | DL-Glutamate,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)O | 1749.6 | Semi standard non polar | 33892256 | DL-Glutamate,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)O | 1805.2 | Semi standard non polar | 33892256 | DL-Glutamate,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C | 1972.1 | Semi standard non polar | 33892256 | DL-Glutamate,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O | 2089.8 | Semi standard non polar | 33892256 | DL-Glutamate,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | 2049.8 | Semi standard non polar | 33892256 | DL-Glutamate,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C | 2186.7 | Semi standard non polar | 33892256 | DL-Glutamate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2263.6 | Semi standard non polar | 33892256 | DL-Glutamate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2262.2 | Standard non polar | 33892256 | DL-Glutamate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2181.8 | Standard polar | 33892256 | DL-Glutamate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2437.1 | Semi standard non polar | 33892256 | DL-Glutamate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2315.1 | Standard non polar | 33892256 | DL-Glutamate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2266.7 | Standard polar | 33892256 | DL-Glutamate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2431.7 | Semi standard non polar | 33892256 | DL-Glutamate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2285.3 | Standard non polar | 33892256 | DL-Glutamate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2252.9 | Standard polar | 33892256 | DL-Glutamate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCC(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 | 2653.0 | Semi standard non polar | 33892256 | DL-Glutamate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCC(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 | 2531.1 | Standard non polar | 33892256 | DL-Glutamate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCC(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 | 2239.0 | 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 - DL-Glutamate GC-EI-TOF (Non-derivatized) | splash10-002b-0940000000-ef4582bb9263bdfba6cd | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - DL-Glutamate GC-EI-TOF (Non-derivatized) | splash10-05fr-1900000000-ffc4d661283cf00cdeb8 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - DL-Glutamate GC-EI-TOF (Non-derivatized) | splash10-002b-0940000000-ef4582bb9263bdfba6cd | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - DL-Glutamate GC-EI-TOF (Non-derivatized) | splash10-05fr-1900000000-ffc4d661283cf00cdeb8 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - DL-Glutamate GC-MS (Non-derivatized) - 70eV, Positive | splash10-0k9x-9300000000-a43e0122a45b9abf09d6 | 2017-09-20 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - DL-Glutamate GC-MS (2 TMS) - 70eV, Positive | splash10-00di-9520000000-b2bc58c49d6c26b455c3 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - DL-Glutamate GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-001i-9000000000-a9f003887aee86656dc9 | 2014-09-20 | 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 - DL-Glutamate LC-ESI-QTOF , negative-QTOF | splash10-0ufs-0900000000-1c5ddec3198a6dd6f0f5 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-QTOF , negative-QTOF | splash10-0udi-0900000000-c23ea6e031c1e4930944 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-QTOF , positive-QTOF | splash10-0002-0900000000-dfbb29e9a331e253d85f | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-QTOF , positive-QTOF | splash10-001i-3900000000-e514d6585bdf9bc9e803 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-QTOF , positive-QTOF | splash10-001i-9300000000-f36781f2872f0c748fcf | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-QTOF , positive-QTOF | splash10-001i-9000000000-f8b643434e08f4b8477a | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-0002-0910000000-0cae73de7aafccd2b88c | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-001j-0900000000-4540874a0e2bf8f3dd2d | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-001i-0900000000-cbb82b980b4695c335e3 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-001i-3900000000-a21b10181a571a52903d | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-001i-5900000000-7ac8323be081a359f516 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-001i-9510000000-c02c74d8cf00a9aafc84 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-001i-9100000000-2ce1c558d28c50a3e6c7 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-000t-0920000000-fc4e9b818816049b3eac | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-001i-1900000000-c619c9c0aa5fa4776a9a | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-001i-9300000000-f6470a0cfd89aa7eb825 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-001i-9700000000-b65a3cfe30f5568af901 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-ITFT , positive-QTOF | splash10-0002-0930000000-dac6a530acd2a68c237d | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - DL-Glutamate LC-ESI-QTOF , positive-QTOF | splash10-0ue9-0900000000-64bc57b5310cb336bebe | 2017-09-14 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - DL-Glutamate 10V, Positive-QTOF | splash10-001i-3900000000-58248bb2a0c7ddc905cf | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - DL-Glutamate 20V, Positive-QTOF | splash10-0zgi-9600000000-076b628a6858a60a475f | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - DL-Glutamate 40V, Positive-QTOF | splash10-0a4i-9000000000-bd3823a5fab8a2d9b62c | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - DL-Glutamate 10V, Negative-QTOF | splash10-0002-1900000000-11233b5887638266e512 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - DL-Glutamate 20V, Negative-QTOF | splash10-0fba-4900000000-1e8ea62e3fbd8467396f | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - DL-Glutamate 40V, Negative-QTOF | splash10-0abc-9100000000-6c956e122b59de69a472 | 2015-04-25 | 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) | 2021-09-24 | Wishart Lab | View Spectrum | 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 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 |
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