Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2006-05-22 14:17:48 UTC |
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Update Date | 2021-09-14 14:57:58 UTC |
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HMDB ID | HMDB0002339 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 5-Methoxytryptophan |
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Description | 5-methoxytryptophan is an L-tryptophan derivative that is L-tryptophan with a methoxy substituent at position 5. It has a role as a metabolite. It derives from a L-tryptophan. It is a tautomer of a 5-methoxy-L-tryptophan zwitterion. 5-Methoxytryptophan belongs to the class of organic compounds known as serotonins. Serotonins are compounds containing a serotonin moiety, which consists of an indole that bears an aminoethyl a position 2 and a hydroxyl group at position 5. Outside of the human body, 5-Methoxytryptophan has been detected, but not quantified in cow milk. 5-Methoxytryptophan is reduced in the urine of patients with liver disease. 5-Methoxytryptophan is reduced in the urine of parients with liver disease. |
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Structure | COC1=CC2=C(NC=C2C[C@H](N)C(O)=O)C=C1 InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1 |
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Synonyms | Value | Source |
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5-Methoxytryptophan, (L)-isomer | HMDB | 5-Methoxytryptophan, (DL)-isomer | HMDB |
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Chemical Formula | C12H14N2O3 |
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Average Molecular Weight | 234.2512 |
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Monoisotopic Molecular Weight | 234.100442324 |
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IUPAC Name | (2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid |
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Traditional Name | 5-methoxytryptophan |
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CAS Registry Number | 2504-22-5 |
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SMILES | COC1=CC2=C(NC=C2C[C@H](N)C(O)=O)C=C1 |
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InChI Identifier | InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1 |
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InChI Key | KVNPSKDDJARYKK-JTQLQIEISA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as serotonins. Serotonins are compounds containing a serotonin moiety, which consists of an indole that bears an aminoethyl a position 2 and a hydroxyl group at position 5. |
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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 | Tryptamines and derivatives |
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Direct Parent | Serotonins |
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Alternative Parents | |
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Substituents | - Serotonin
- Indolyl carboxylic acid derivative
- Alpha-amino acid
- Alpha-amino acid or derivatives
- L-alpha-amino acid
- 3-alkylindole
- Indole
- Anisole
- Alkyl aryl ether
- Aralkylamine
- Benzenoid
- Substituted pyrrole
- Heteroaromatic compound
- Pyrrole
- Amino acid or derivatives
- Amino acid
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Azacycle
- Monocarboxylic acid or derivatives
- Amine
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Primary amine
- Primary aliphatic amine
- Organic oxide
- Organonitrogen compound
- Organooxygen 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 | Not Available |
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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 | 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 | 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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5-Methoxytryptophan,1TMS,isomer #1 | COC1=CC=C2[NH]C=C(C[C@H](N)C(=O)O[Si](C)(C)C)C2=C1 | 2398.5 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,1TMS,isomer #2 | COC1=CC=C2[NH]C=C(C[C@H](N[Si](C)(C)C)C(=O)O)C2=C1 | 2452.3 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,1TMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@H](N)C(=O)O)=CN2[Si](C)(C)C | 2487.8 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #1 | COC1=CC=C2[NH]C=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2=C1 | 2393.4 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #1 | COC1=CC=C2[NH]C=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2=C1 | 2406.7 | Standard non polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #1 | COC1=CC=C2[NH]C=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2=C1 | 2967.4 | Standard polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #2 | COC1=CC=C2C(=C1)C(C[C@H](N)C(=O)O[Si](C)(C)C)=CN2[Si](C)(C)C | 2433.4 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #2 | COC1=CC=C2C(=C1)C(C[C@H](N)C(=O)O[Si](C)(C)C)=CN2[Si](C)(C)C | 2388.1 | Standard non polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #2 | COC1=CC=C2C(=C1)C(C[C@H](N)C(=O)O[Si](C)(C)C)=CN2[Si](C)(C)C | 3063.4 | Standard polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C)C(=O)O)=CN2[Si](C)(C)C | 2477.7 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C)C(=O)O)=CN2[Si](C)(C)C | 2442.9 | Standard non polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C)C(=O)O)=CN2[Si](C)(C)C | 3100.1 | Standard polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #4 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=C1 | 2546.7 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #4 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=C1 | 2493.6 | Standard non polar | 33892256 | 5-Methoxytryptophan,2TMS,isomer #4 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=C1 | 3147.5 | Standard polar | 33892256 | 5-Methoxytryptophan,3TMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CN2[Si](C)(C)C | 2426.1 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,3TMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CN2[Si](C)(C)C | 2425.3 | Standard non polar | 33892256 | 5-Methoxytryptophan,3TMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CN2[Si](C)(C)C | 2775.4 | Standard polar | 33892256 | 5-Methoxytryptophan,3TMS,isomer #2 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=C1 | 2522.5 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,3TMS,isomer #2 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=C1 | 2543.8 | Standard non polar | 33892256 | 5-Methoxytryptophan,3TMS,isomer #2 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=C1 | 2823.9 | Standard polar | 33892256 | 5-Methoxytryptophan,3TMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C | 2582.6 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,3TMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C | 2562.3 | Standard non polar | 33892256 | 5-Methoxytryptophan,3TMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C | 2910.4 | Standard polar | 33892256 | 5-Methoxytryptophan,4TMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C | 2597.8 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,4TMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C | 2553.6 | Standard non polar | 33892256 | 5-Methoxytryptophan,4TMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C | 2699.4 | Standard polar | 33892256 | 5-Methoxytryptophan,1TBDMS,isomer #1 | COC1=CC=C2[NH]C=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=C1 | 2683.1 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,1TBDMS,isomer #2 | COC1=CC=C2[NH]C=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C2=C1 | 2725.2 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,1TBDMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@H](N)C(=O)O)=CN2[Si](C)(C)C(C)(C)C | 2748.2 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #1 | COC1=CC=C2[NH]C=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C2=C1 | 2907.1 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #1 | COC1=CC=C2[NH]C=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C2=C1 | 2863.0 | Standard non polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #1 | COC1=CC=C2[NH]C=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C2=C1 | 3095.3 | Standard polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #2 | COC1=CC=C2C(=C1)C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 2924.7 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #2 | COC1=CC=C2C(=C1)C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 2812.6 | Standard non polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #2 | COC1=CC=C2C(=C1)C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3149.3 | Standard polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=CN2[Si](C)(C)C(C)(C)C | 2976.5 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=CN2[Si](C)(C)C(C)(C)C | 2866.2 | Standard non polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=CN2[Si](C)(C)C(C)(C)C | 3186.2 | Standard polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #4 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C1 | 3060.9 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #4 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C1 | 2931.6 | Standard non polar | 33892256 | 5-Methoxytryptophan,2TBDMS,isomer #4 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C1 | 3190.5 | Standard polar | 33892256 | 5-Methoxytryptophan,3TBDMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3098.8 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,3TBDMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3063.5 | Standard non polar | 33892256 | 5-Methoxytryptophan,3TBDMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3042.4 | Standard polar | 33892256 | 5-Methoxytryptophan,3TBDMS,isomer #2 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C1 | 3258.1 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,3TBDMS,isomer #2 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C1 | 3170.3 | Standard non polar | 33892256 | 5-Methoxytryptophan,3TBDMS,isomer #2 | COC1=CC=C2[NH]C=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C1 | 3061.2 | Standard polar | 33892256 | 5-Methoxytryptophan,3TBDMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3272.6 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,3TBDMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3130.7 | Standard non polar | 33892256 | 5-Methoxytryptophan,3TBDMS,isomer #3 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3111.8 | Standard polar | 33892256 | 5-Methoxytryptophan,4TBDMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3432.8 | Semi standard non polar | 33892256 | 5-Methoxytryptophan,4TBDMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3311.8 | Standard non polar | 33892256 | 5-Methoxytryptophan,4TBDMS,isomer #1 | COC1=CC=C2C(=C1)C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C | 3031.8 | 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 - 5-Methoxytryptophan GC-MS (Non-derivatized) - 70eV, Positive | splash10-000i-5920000000-ffba36adb450cd195025 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5-Methoxytryptophan GC-MS (1 TMS) - 70eV, Positive | splash10-00di-9260000000-e578266deb11647b6038 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5-Methoxytryptophan 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 - 5-Methoxytryptophan Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-014i-0090000000-98b67a871de8f6b734b7 | 2012-07-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 5-Methoxytryptophan Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-0002-0900000000-0b2e81c476982c3890ba | 2012-07-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 5-Methoxytryptophan Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-0fur-0900000000-1d843566e7fb8915aa0e | 2012-07-25 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 10V, Positive-QTOF | splash10-000i-0970000000-acee09725ba82e4e72c7 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 20V, Positive-QTOF | splash10-000i-0910000000-88d7862280a8ce1779d8 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 40V, Positive-QTOF | splash10-01q9-0900000000-31129998c458c6c3c454 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 10V, Negative-QTOF | splash10-001i-2090000000-1663a625f71fa9a0d490 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 20V, Negative-QTOF | splash10-00di-9560000000-7fc44f90a890e8c82e55 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 40V, Negative-QTOF | splash10-00di-9600000000-ac4fab328618b00e6373 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 10V, Negative-QTOF | splash10-0089-1590000000-0810f437fce8f57d59d3 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 20V, Negative-QTOF | splash10-00e9-6970000000-0a0c9b0d1d20b9da1dd5 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 40V, Negative-QTOF | splash10-008c-1900000000-a399bb78fbe6070b9a7e | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 10V, Positive-QTOF | splash10-000i-0190000000-d84e219841879424e605 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 20V, Positive-QTOF | splash10-00kr-0890000000-147dc404892ce92bb5e8 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Methoxytryptophan 40V, Positive-QTOF | splash10-03l1-0900000000-6c9279ea8fd7cacb8919 | 2021-09-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Experimental 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | 2012-12-05 | 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, 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 | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | 2012-12-05 | Wishart Lab | View Spectrum |
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