Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2010-05-13 16:18:18 UTC |
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Update Date | 2022-07-18 21:40:54 UTC |
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HMDB ID | HMDB0013609 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | D-Tryptophan |
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Description | D-Tryptophan, also known as DTR, belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. D-Tryptophan exists in all living species, ranging from bacteria to plants to humans. D-Tryptophan is found, on average, in the highest concentration within milk (cow) and beer. This could make D-tryptophan a potential biomarker for the consumption of these foods. D-Tryptophan is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on D-Tryptophan. |
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Structure | N[C@H](CC1=CNC2=C1C=CC=C2)C(O)=O InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1 |
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Synonyms | Value | Source |
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(2R)-2-Amino-3-(1H-indol-3-yl)propanoic acid | ChEBI | (R)-Tryptophan | ChEBI | DTR | ChEBI | (2R)-2-Amino-3-(1H-indol-3-yl)propanoate | Generator | (+)-Tryptophan | HMDB | (R)-(+)-2-amino-3-(3-Indolyl)propionic acid | HMDB | (R)-2-amino-3-(3-Indolyl)propionic acid | HMDB | D-(+)-Tryptophan | HMDB | D-alpha-amino-3-Indolepropionic acid | HMDB | D-Tryptophane | HMDB | D-Trytophane | HMDB | delta-(+)-Tryptophan | HMDB | delta-alpha-amino-3-Indolepropionic acid | HMDB | delta-Tryptophane | HMDB | delta-Trytophane | HMDB | DL-Tryptophan | HMDB | H-D-TRP-OH | HMDB | H-delta-TRP-OH | HMDB | Tryptophan | HMDB |
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Chemical Formula | C11H12N2O2 |
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Average Molecular Weight | 204.2252 |
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Monoisotopic Molecular Weight | 204.089877638 |
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IUPAC Name | (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid |
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Traditional Name | D-tryptophan |
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CAS Registry Number | 153-94-6 |
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SMILES | N[C@H](CC1=CNC2=C1C=CC=C2)C(O)=O |
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InChI Identifier | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1 |
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InChI Key | QIVBCDIJIAJPQS-SECBINFHSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Indoles and derivatives |
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Sub Class | Indolyl carboxylic acids and derivatives |
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Direct Parent | Indolyl carboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Indolyl carboxylic acid derivative
- Alpha-amino acid
- Alpha-amino acid or derivatives
- D-alpha-amino acid
- 3-alkylindole
- Indole
- Aralkylamine
- Benzenoid
- Substituted pyrrole
- Heteroaromatic compound
- Pyrrole
- Amino acid or derivatives
- Amino acid
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Azacycle
- Amine
- Primary aliphatic amine
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Organopnictogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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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D-Tryptophan,1TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](N)CC1=C[NH]C2=CC=CC=C12 | 2197.3 | Semi standard non polar | 33892256 | D-Tryptophan,1TMS,isomer #2 | C[Si](C)(C)N[C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O | 2255.2 | Semi standard non polar | 33892256 | D-Tryptophan,1TMS,isomer #3 | C[Si](C)(C)N1C=C(C[C@@H](N)C(=O)O)C2=CC=CC=C21 | 2272.6 | Semi standard non polar | 33892256 | D-Tryptophan,2TMS,isomer #1 | C[Si](C)(C)N[C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C | 2210.1 | Semi standard non polar | 33892256 | D-Tryptophan,2TMS,isomer #1 | C[Si](C)(C)N[C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C | 2179.7 | Standard non polar | 33892256 | D-Tryptophan,2TMS,isomer #1 | C[Si](C)(C)N[C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C | 2633.2 | Standard polar | 33892256 | D-Tryptophan,2TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H](N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12 | 2225.1 | Semi standard non polar | 33892256 | D-Tryptophan,2TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H](N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12 | 2195.8 | Standard non polar | 33892256 | D-Tryptophan,2TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H](N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12 | 2721.9 | Standard polar | 33892256 | D-Tryptophan,2TMS,isomer #3 | C[Si](C)(C)N([C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C | 2414.6 | Semi standard non polar | 33892256 | D-Tryptophan,2TMS,isomer #3 | C[Si](C)(C)N([C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C | 2259.1 | Standard non polar | 33892256 | D-Tryptophan,2TMS,isomer #3 | C[Si](C)(C)N([C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C | 2831.1 | Standard polar | 33892256 | D-Tryptophan,2TMS,isomer #4 | C[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O | 2278.7 | Semi standard non polar | 33892256 | D-Tryptophan,2TMS,isomer #4 | C[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O | 2218.2 | Standard non polar | 33892256 | D-Tryptophan,2TMS,isomer #4 | C[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O | 2736.2 | Standard polar | 33892256 | D-Tryptophan,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C | 2411.1 | Semi standard non polar | 33892256 | D-Tryptophan,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C | 2329.2 | Standard non polar | 33892256 | D-Tryptophan,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C | 2530.5 | Standard polar | 33892256 | D-Tryptophan,3TMS,isomer #2 | C[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C | 2249.5 | Semi standard non polar | 33892256 | D-Tryptophan,3TMS,isomer #2 | C[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C | 2250.8 | Standard non polar | 33892256 | D-Tryptophan,3TMS,isomer #2 | C[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C | 2472.1 | Standard polar | 33892256 | D-Tryptophan,3TMS,isomer #3 | C[Si](C)(C)N([C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C | 2443.5 | Semi standard non polar | 33892256 | D-Tryptophan,3TMS,isomer #3 | C[Si](C)(C)N([C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C | 2353.1 | Standard non polar | 33892256 | D-Tryptophan,3TMS,isomer #3 | C[Si](C)(C)N([C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C | 2606.2 | Standard polar | 33892256 | D-Tryptophan,4TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C | 2469.8 | Semi standard non polar | 33892256 | D-Tryptophan,4TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C | 2388.7 | Standard non polar | 33892256 | D-Tryptophan,4TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C | 2421.3 | Standard polar | 33892256 | D-Tryptophan,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CC1=C[NH]C2=CC=CC=C12 | 2475.2 | Semi standard non polar | 33892256 | D-Tryptophan,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O | 2522.1 | Semi standard non polar | 33892256 | D-Tryptophan,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N1C=C(C[C@@H](N)C(=O)O)C2=CC=CC=C21 | 2534.0 | Semi standard non polar | 33892256 | D-Tryptophan,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C | 2710.2 | Semi standard non polar | 33892256 | D-Tryptophan,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C | 2627.5 | Standard non polar | 33892256 | D-Tryptophan,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C | 2814.8 | Standard polar | 33892256 | D-Tryptophan,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12 | 2688.6 | Semi standard non polar | 33892256 | D-Tryptophan,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12 | 2620.7 | Standard non polar | 33892256 | D-Tryptophan,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12 | 2859.2 | Standard polar | 33892256 | D-Tryptophan,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C | 2907.0 | Semi standard non polar | 33892256 | D-Tryptophan,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C | 2700.5 | Standard non polar | 33892256 | D-Tryptophan,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C | 2902.6 | Standard polar | 33892256 | D-Tryptophan,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O | 2750.2 | Semi standard non polar | 33892256 | D-Tryptophan,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O | 2650.4 | Standard non polar | 33892256 | D-Tryptophan,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O | 2880.6 | Standard polar | 33892256 | D-Tryptophan,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3104.4 | Semi standard non polar | 33892256 | D-Tryptophan,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2971.5 | Standard non polar | 33892256 | D-Tryptophan,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2818.8 | Standard polar | 33892256 | D-Tryptophan,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C | 2870.3 | Semi standard non polar | 33892256 | D-Tryptophan,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C | 2877.8 | Standard non polar | 33892256 | D-Tryptophan,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C | 2789.6 | Standard polar | 33892256 | D-Tryptophan,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C | 3094.8 | Semi standard non polar | 33892256 | D-Tryptophan,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C | 2954.5 | Standard non polar | 33892256 | D-Tryptophan,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C | 2853.8 | Standard polar | 33892256 | D-Tryptophan,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3278.2 | Semi standard non polar | 33892256 | D-Tryptophan,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3154.7 | Standard non polar | 33892256 | D-Tryptophan,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2786.0 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - D-Tryptophan GC-MS (Non-derivatized) - 70eV, Positive | splash10-0560-4900000000-fa932bc4cffed0ca66b7 | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Tryptophan GC-MS (1 TMS) - 70eV, Positive | splash10-00gl-7490000000-c8150f8039963f4eb7f7 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Tryptophan 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 - D-Tryptophan , negative-QTOF | splash10-0gi0-4940000000-00a5a8140b79080185e6 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan , negative-QTOF | splash10-0gi0-3940000000-321dc703abd716322faa | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 75V, Negative-QTOF | splash10-0uxr-1960000000-3944aa089c0be5dbd57a | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 30V, Negative-QTOF | splash10-014i-0900000000-94061fd1f6b08445cdf3 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 20V, Negative-QTOF | splash10-0gb9-0930000000-da94834297fcc5b3d3c5 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 25V, Negative-QTOF | splash10-0zfr-0890000000-0d359faeb8858c021feb | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 40V, Negative-QTOF | splash10-014i-0900000000-e78172f4f27df232466e | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 20V, Negative-QTOF | splash10-0zfr-0790000000-b95264f9ab4278178457 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 35V, Negative-QTOF | splash10-0a4i-0900000000-e13b1ada6628c7f81fad | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 50V, Negative-QTOF | splash10-014i-0900000000-93406e2cdb79770abc7d | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 10V, Negative-QTOF | splash10-0udi-0090000000-c73c9b49139319c80b18 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 65V, Negative-QTOF | splash10-0udi-0690000000-4bf908b56440e171f545 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 50V, Negative-QTOF | splash10-0udi-0190000000-dfe53dc7eb1d8480b67d | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 95V, Negative-QTOF | splash10-014i-1910000000-d9efdaa0c5d83afa0a30 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 40V, Negative-QTOF | splash10-0udi-0090000000-3f6a5d549dc480992733 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 40V, Negative-QTOF | splash10-014i-0900000000-d8162407bfd6d77329dd | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 60V, Negative-QTOF | splash10-0udi-0390000000-99187dba9accfe70a9d7 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 80V, Negative-QTOF | splash10-0gb9-1940000000-6731b16a7a3f99824a8f | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 20V, Negative-QTOF | splash10-014i-0900000000-71ce6030cb0ece21c187 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 70V, Negative-QTOF | splash10-0uxr-1980000000-f81e0966edca14970bcd | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 10V, Negative-QTOF | splash10-0udi-0890000000-8d614cd4a32f54f5f42b | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 55V, Negative-QTOF | splash10-0udi-0290000000-f509dc2b1981bd74e940 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 30V, Negative-QTOF | splash10-0a4i-0900000000-ad4c64ffc9170a5bae1e | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 45V, Negative-QTOF | splash10-0udi-0190000000-4aff7b2f76290f449a84 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tryptophan 90V, Negative-QTOF | splash10-014i-0920000000-a9d3f1ce81f54000d79c | 2021-09-20 | 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) | 2021-09-25 | Wishart Lab | View Spectrum | 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 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 |
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Disease References | Sepsis |
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- Ferrario M, Cambiaghi A, Brunelli L, Giordano S, Caironi P, Guatteri L, Raimondi F, Gattinoni L, Latini R, Masson S, Ristagno G, Pastorelli R: Mortality prediction in patients with severe septic shock: a pilot study using a target metabolomics approach. Sci Rep. 2016 Feb 5;6:20391. doi: 10.1038/srep20391. [PubMed:26847922 ]
| Colorectal cancer |
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- Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
- Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
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