Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 00:04:34 UTC |
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Update Date | 2021-09-26 22:56:31 UTC |
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HMDB ID | HMDB0247059 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 2-Fluoro-5-hydroxy-L-tyrosine |
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Description | 2-Fluoro-5-hydroxy-L-tyrosine belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on 2-Fluoro-5-hydroxy-L-tyrosine. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2-fluoro-5-hydroxy-l-tyrosine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2-Fluoro-5-hydroxy-L-tyrosine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | NC(CC1=CC(O)=C(O)C=C1F)C(O)=O InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15) |
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Synonyms | Not Available |
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Chemical Formula | C9H10FNO4 |
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Average Molecular Weight | 215.18 |
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Monoisotopic Molecular Weight | 215.059385969 |
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IUPAC Name | 2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid |
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Traditional Name | 2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid |
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CAS Registry Number | Not Available |
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SMILES | NC(CC1=CC(O)=C(O)C=C1F)C(O)=O |
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InChI Identifier | InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15) |
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InChI Key | PAXWQORCRCBOCU-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine 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 | Tyrosine and derivatives |
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Alternative Parents | |
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Substituents | - Tyrosine or derivatives
- Phenylalanine or derivatives
- 3-phenylpropanoic-acid
- Alpha-amino acid
- Amphetamine or derivatives
- 3-fluorophenol
- 3-halophenol
- 4-halophenol
- Catechol
- 4-fluorophenol
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Fluorobenzene
- Halobenzene
- Aralkylamine
- Monocyclic benzene moiety
- Benzenoid
- Aryl halide
- Aryl fluoride
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organohalogen compound
- Organofluoride
- Organonitrogen compound
- Organooxygen compound
- Organic nitrogen compound
- Carbonyl group
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Amine
- Primary aliphatic amine
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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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 | 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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2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #1 | C[Si](C)(C)NC(CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1F)C(=O)O[Si](C)(C)C | 2069.3 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #1 | C[Si](C)(C)NC(CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1F)C(=O)O[Si](C)(C)C | 2098.8 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #1 | C[Si](C)(C)NC(CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1F)C(=O)O[Si](C)(C)C | 2139.3 | Standard polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #2 | C[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C)=C(O)C=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2233.7 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #2 | C[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C)=C(O)C=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2222.1 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #2 | C[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C)=C(O)C=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2255.8 | Standard polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #3 | C[Si](C)(C)OC1=CC(F)=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C | 2251.5 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #3 | C[Si](C)(C)OC1=CC(F)=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C | 2173.4 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #3 | C[Si](C)(C)OC1=CC(F)=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C | 2274.7 | Standard polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #4 | C[Si](C)(C)OC(=O)C(CC1=CC(O)=C(O[Si](C)(C)C)C=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2224.5 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #4 | C[Si](C)(C)OC(=O)C(CC1=CC(O)=C(O[Si](C)(C)C)C=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2215.2 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TMS,isomer #4 | C[Si](C)(C)OC(=O)C(CC1=CC(O)=C(O[Si](C)(C)C)C=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2250.2 | Standard polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,5TMS,isomer #1 | C[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2318.9 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,5TMS,isomer #1 | C[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2221.7 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,5TMS,isomer #1 | C[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2146.4 | Standard polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1F)C(=O)O[Si](C)(C)C(C)(C)C | 2940.0 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1F)C(=O)O[Si](C)(C)C(C)(C)C | 2841.2 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1F)C(=O)O[Si](C)(C)C(C)(C)C | 2617.0 | Standard polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3098.6 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2973.2 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2656.7 | Standard polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC(F)=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 3129.7 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC(F)=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 2906.0 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC(F)=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 2664.1 | Standard polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3098.2 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2968.9 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2653.2 | Standard polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3332.3 | Semi standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3115.4 | Standard non polar | 33892256 | 2-Fluoro-5-hydroxy-L-tyrosine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2675.3 | 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 - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (Non-derivatized) - 70eV, Positive | splash10-006x-4900000000-0208e60235b8184d7821 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine 10V, Positive-QTOF | splash10-014i-0790000000-5f5b6f58a09e12aad2be | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine 20V, Positive-QTOF | splash10-0006-0910000000-825a2229134d66c94b1a | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine 40V, Positive-QTOF | splash10-0006-4900000000-26f1122133a5eae419de | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine 10V, Negative-QTOF | splash10-0imi-0940000000-d70c139179a2a3708b73 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine 20V, Negative-QTOF | splash10-0fdo-1900000000-630d3f15f2a70a91b0f5 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Fluoro-5-hydroxy-L-tyrosine 40V, Negative-QTOF | splash10-014l-8900000000-70fae5241ac6a94b5ea8 | 2021-10-12 | 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) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum |
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