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 00:04:37 UTC |
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Update Date | 2021-09-26 22:56:31 UTC |
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HMDB ID | HMDB0247060 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid |
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Description | 2-amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid 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-amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2-amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid 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=C(F)C(O)=C(O)C=C1)C(O)=O InChI=1S/C9H10FNO4/c10-7-4(3-5(11)9(14)15)1-2-6(12)8(7)13/h1-2,5,12-13H,3,11H2,(H,14,15) |
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Synonyms | Value | Source |
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2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoate | Generator | 3-(2-Fluoro-(18)F-4,5-dihydroxyphenyl)-L-alanine | MeSH | 18F-FDOPA | MeSH | 6-Fluoro-dopa | MeSH | Fluorodopa F 18 | MeSH | 2-Fluoro-5-hydroxytyrosine | MeSH | 3,4-Dihydroxy-6-fluorophenylalanine | MeSH | 6-(18F)Fluoro-L-3,4-dihydroxyphenylalanine | MeSH | 6-(18F)Fluoro-L-dopa | MeSH | Fluorodopa F 18, (18)F-labeled CPD | MeSH | Fluorodopa F-18 | MeSH | (18)F-Dopa | MeSH | Fluorodopa | MeSH |
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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-3,4-dihydroxyphenyl)propanoic acid |
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Traditional Name | 2-amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid |
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CAS Registry Number | Not Available |
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SMILES | NC(CC1=C(F)C(O)=C(O)C=C1)C(O)=O |
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InChI Identifier | InChI=1S/C9H10FNO4/c10-7-4(3-5(11)9(14)15)1-2-6(12)8(7)13/h1-2,5,12-13H,3,11H2,(H,14,15) |
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InChI Key | AIDLBEYXQMVQQH-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
- 2-halophenol
- 3-fluorophenol
- 3-halophenol
- 2-fluorophenol
- Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Halobenzene
- Fluorobenzene
- Phenol
- Aralkylamine
- Aryl halide
- Aryl fluoride
- Monocyclic benzene moiety
- Benzenoid
- Amino acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic nitrogen compound
- Primary aliphatic amine
- Organohalogen compound
- Organofluoride
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- 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-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #1 | C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1F)C(=O)O[Si](C)(C)C | 2078.1 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #1 | C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1F)C(=O)O[Si](C)(C)C | 2090.6 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #1 | C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1F)C(=O)O[Si](C)(C)C | 2117.5 | Standard polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #2 | C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(F)=C1O[Si](C)(C)C | 2244.5 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #2 | C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(F)=C1O[Si](C)(C)C | 2160.0 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #2 | C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(F)=C1O[Si](C)(C)C | 2255.6 | Standard polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2220.2 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2211.0 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2237.4 | Standard polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #4 | C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2230.4 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #4 | C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2152.9 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TMS,isomer #4 | C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2260.8 | Standard polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,5TMS,isomer #1 | C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2324.4 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,5TMS,isomer #1 | C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2208.7 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,5TMS,isomer #1 | C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1F)N([Si](C)(C)C)[Si](C)(C)C | 2128.2 | Standard polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1F)C(=O)O[Si](C)(C)C(C)(C)C | 2951.3 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1F)C(=O)O[Si](C)(C)C(C)(C)C | 2821.3 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1F)C(=O)O[Si](C)(C)C(C)(C)C | 2600.7 | Standard polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C1O[Si](C)(C)C(C)(C)C | 3132.8 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C1O[Si](C)(C)C(C)(C)C | 2880.6 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C1O[Si](C)(C)C(C)(C)C | 2648.4 | Standard polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3079.3 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2958.1 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2646.3 | Standard polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3115.7 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2908.6 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2655.6 | Standard polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3329.6 | Semi standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3092.7 | Standard non polar | 33892256 | 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1F)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2662.1 | 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-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-006x-4900000000-07d1147b517282204792 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid 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-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid 10V, Positive-QTOF | splash10-014j-0950000000-690e769cf650565fe9f2 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid 20V, Positive-QTOF | splash10-0f6x-1900000000-3a12fa0151907dfc5120 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid 40V, Positive-QTOF | splash10-0006-9700000000-fc8e1de408539627a925 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid 10V, Negative-QTOF | splash10-03kc-0950000000-42086f0c51c0591b5e5d | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid 20V, Negative-QTOF | splash10-0ht9-1910000000-cf5a87b311f9a1bd3544 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid 40V, Negative-QTOF | splash10-0f9l-3900000000-476d4338458eba627be0 | 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 | 13C NMR Spectrum (1D, 1000 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, 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 | 1H NMR Spectrum (1D, 300 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 | 13C NMR Spectrum (1D, 400 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 | 1H NMR Spectrum (1D, 500 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 | 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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