Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-10 22:12:11 UTC |
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Update Date | 2021-09-26 22:53:20 UTC |
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HMDB ID | HMDB0245098 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 2-Deoxy-D-glucopyranose 6-phosphate |
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Description | 2-Deoxy-D-glucopyranose 6-phosphate belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. Based on a literature review very few articles have been published on 2-Deoxy-D-glucopyranose 6-phosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2-deoxy-d-glucopyranose 6-phosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2-Deoxy-D-glucopyranose 6-phosphate 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 | OC1CC(O)C(O)C(COP(O)(O)=O)O1 InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12) |
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Synonyms | Value | Source |
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2-Deoxy-D-glucopyranose 6-phosphoric acid | Generator |
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Chemical Formula | C6H13O8P |
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Average Molecular Weight | 244.136 |
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Monoisotopic Molecular Weight | 244.034804377 |
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IUPAC Name | [(3,4,6-trihydroxyoxan-2-yl)methoxy]phosphonic acid |
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Traditional Name | 2-deoxy-glucose-6-phosphate |
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CAS Registry Number | Not Available |
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SMILES | OC1CC(O)C(O)C(COP(O)(O)=O)O1 |
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InChI Identifier | InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12) |
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InChI Key | UQJFZAAGZAYVKZ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Hexose phosphates |
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Alternative Parents | |
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Substituents | - Hexose phosphate
- Monosaccharide phosphate
- Monoalkyl phosphate
- Alkyl phosphate
- Phosphoric acid ester
- Oxane
- Organic phosphoric acid derivative
- 1,2-diol
- Secondary alcohol
- Hemiacetal
- Organoheterocyclic compound
- Polyol
- Oxacycle
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #1 | C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O1 | 2177.7 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #1 | C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O1 | 2157.7 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #1 | C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O1 | 2519.8 | Standard polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #2 | C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1 | 2180.1 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #2 | C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1 | 2262.0 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #2 | C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1 | 2480.9 | Standard polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #3 | C[Si](C)(C)OC1CC(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1 | 2205.5 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #3 | C[Si](C)(C)OC1CC(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1 | 2302.8 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #3 | C[Si](C)(C)OC1CC(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1 | 2502.7 | Standard polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #4 | C[Si](C)(C)OC1CC(O)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C | 2222.3 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #4 | C[Si](C)(C)OC1CC(O)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C | 2252.4 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TMS,isomer #4 | C[Si](C)(C)OC1CC(O)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C | 2499.8 | Standard polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,5TMS,isomer #1 | C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1 | 2214.2 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,5TMS,isomer #1 | C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1 | 2205.1 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,5TMS,isomer #1 | C[Si](C)(C)OC1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1 | 2290.5 | Standard polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O1 | 3011.5 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O1 | 2918.9 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O1 | 2838.3 | Standard polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 3018.0 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 2964.3 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 2821.0 | Standard polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1CC(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 3038.1 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1CC(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 3031.1 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1CC(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 2838.4 | Standard polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1CC(O)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3062.3 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1CC(O)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 2987.5 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1CC(O)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 2837.6 | Standard polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 3180.6 | Semi standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 3063.2 | Standard non polar | 33892256 | 2-Deoxy-D-glucopyranose 6-phosphate,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 2763.3 | 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-Deoxy-D-glucopyranose 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive | splash10-002b-9320000000-7e60957a00fe87e8d306 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate 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-Deoxy-D-glucopyranose 6-phosphate 10V, Positive-QTOF | splash10-004j-0910000000-83b9fe7b86f4c58afac6 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate 20V, Positive-QTOF | splash10-002b-6900000000-c1b3a6ed0f77591bd5e9 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate 40V, Positive-QTOF | splash10-000t-9000000000-4d6ad5c240ebd03e6670 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate 10V, Negative-QTOF | splash10-0006-6090000000-52ce5cf54c72ed837d8f | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate 20V, Negative-QTOF | splash10-004i-9000000000-e5ae44d04fcc61ba1d70 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Deoxy-D-glucopyranose 6-phosphate 40V, Negative-QTOF | splash10-004i-9000000000-a5e502a2627af2048a1f | 2021-10-12 | Wishart Lab | 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) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum |
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