Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2006-08-12 20:29:38 UTC |
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Update Date | 2021-09-14 15:44:47 UTC |
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HMDB ID | HMDB0003418 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | D-Tagatose |
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Description | D-Tagatose (CAS: 87-81-0), a rare natural hexoketose, is an isomer of D-galactose. D-Tagatose occurs naturally in Sterculia setigera gum, and it is also found in small quantities in various foods such as sterilized and powdered cow's milk, hot cocoa, and a variety of cheeses, yogurts, and other dairy products. It can be synthesized from D-galactose by isomerization under alkaline conditions in the presence of calcium. D-Tagatose has numerous health benefits, including promotion of weight loss; no glycemic effect; anti-plaque, non-cariogenic, anti-halitosis, prebiotic, and anti-biofilm properties; organ transplants; enhancement of flavor; improvement of pregnancy and fetal development; obesity treatment; and reduction in symptoms associated with type 2 diabetes, hyperglycemia, anemia, and hemophilia (PMID:17492284 ). |
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Structure | OC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6-/m1/s1 |
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Synonyms | Value | Source |
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D-Lyxo-2-hexulose | HMDB | D-Lyxo-hex-2-ulose | HMDB | D-Tag | HMDB | Lyxo-2-hexulose | HMDB | Lyxo-hexulose | HMDB | Tagatose | HMDB | Tagatose, (D)-isomer | HMDB | Tagatose, (beta-D)-isomer | HMDB | Tagatose, (alpha-D)-isomer | HMDB | Tagatose, (DL)-isomer | HMDB | D-Tagatopyranose | HMDB | Tagatopyranose | HMDB | beta-D-Tagatopyranose | HMDB | beta-D-Tagatose | HMDB | Β-D-tagatopyranose | HMDB | Β-D-tagatose | HMDB | b-D-Tagatopyranose | HMDB | D-Tagatose | HMDB |
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Chemical Formula | C6H12O6 |
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Average Molecular Weight | 180.156 |
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Monoisotopic Molecular Weight | 180.063388106 |
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IUPAC Name | (2R,3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
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Traditional Name | β-D-tagatopyranose |
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CAS Registry Number | 20197-42-6 |
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SMILES | OC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O |
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InChI Identifier | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6-/m1/s1 |
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InChI Key | LKDRXBCSQODPBY-DPYQTVNSSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. |
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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 | Monosaccharides |
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Alternative Parents | |
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Substituents | - Oxane
- Monosaccharide
- Secondary alcohol
- Hemiacetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect
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Adverse health effect
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Disposition
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Biological location
Source
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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 | 134.5 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | -3.202 | 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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D-Tagatose,1TMS,isomer #1 | C[Si](C)(C)OC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O | 1753.0 | Semi standard non polar | 33892256 | D-Tagatose,1TMS,isomer #2 | C[Si](C)(C)O[C@]1(CO)OC[C@@H](O)[C@H](O)[C@@H]1O | 1742.4 | Semi standard non polar | 33892256 | D-Tagatose,1TMS,isomer #3 | C[Si](C)(C)O[C@@H]1CO[C@](O)(CO)[C@@H](O)[C@H]1O | 1751.6 | Semi standard non polar | 33892256 | D-Tagatose,1TMS,isomer #4 | C[Si](C)(C)O[C@@H]1[C@H](O)[C@@](O)(CO)OC[C@H]1O | 1737.4 | Semi standard non polar | 33892256 | D-Tagatose,1TMS,isomer #5 | C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)CO[C@]1(O)CO | 1753.5 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #1 | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@H](O)[C@@H]1O | 1727.3 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #10 | C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@](O)(CO)OC[C@H]1O | 1704.1 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #2 | C[Si](C)(C)OC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O | 1731.9 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #3 | C[Si](C)(C)OC[C@@]1(O)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O | 1737.4 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #4 | C[Si](C)(C)OC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C | 1727.9 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #5 | C[Si](C)(C)O[C@@H]1CO[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H]1O | 1744.2 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #6 | C[Si](C)(C)O[C@@H]1[C@H](O)[C@](CO)(O[Si](C)(C)C)OC[C@H]1O | 1734.5 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #7 | C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)CO[C@@]1(CO)O[Si](C)(C)C | 1733.8 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #8 | C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)CO[C@]1(O)CO | 1723.2 | Semi standard non polar | 33892256 | D-Tagatose,2TMS,isomer #9 | C[Si](C)(C)O[C@@H]1CO[C@](O)(CO)[C@@H](O)[C@H]1O[Si](C)(C)C | 1689.0 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #1 | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O | 1750.3 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #10 | C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@](O)(CO)OC[C@H]1O[Si](C)(C)C | 1698.2 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #2 | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O | 1767.8 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #3 | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C | 1738.1 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #4 | C[Si](C)(C)OC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O | 1713.8 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #5 | C[Si](C)(C)OC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C | 1747.4 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #6 | C[Si](C)(C)OC[C@@]1(O)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 1743.9 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #7 | C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)CO[C@@]1(CO)O[Si](C)(C)C | 1741.2 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #8 | C[Si](C)(C)O[C@@H]1CO[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C | 1733.3 | Semi standard non polar | 33892256 | D-Tagatose,3TMS,isomer #9 | C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@](CO)(O[Si](C)(C)C)OC[C@H]1O | 1754.2 | Semi standard non polar | 33892256 | D-Tagatose,4TMS,isomer #1 | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O | 1780.3 | Semi standard non polar | 33892256 | D-Tagatose,4TMS,isomer #2 | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C | 1789.0 | Semi standard non polar | 33892256 | D-Tagatose,4TMS,isomer #3 | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 1828.2 | Semi standard non polar | 33892256 | D-Tagatose,4TMS,isomer #4 | C[Si](C)(C)OC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 1767.7 | Semi standard non polar | 33892256 | D-Tagatose,4TMS,isomer #5 | C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@](CO)(O[Si](C)(C)C)OC[C@H]1O[Si](C)(C)C | 1784.8 | Semi standard non polar | 33892256 | D-Tagatose,5TMS,isomer #1 | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 1903.7 | Semi standard non polar | 33892256 | D-Tagatose,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O | 2006.5 | Semi standard non polar | 33892256 | D-Tagatose,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@]1(CO)OC[C@@H](O)[C@H](O)[C@@H]1O | 2009.8 | Semi standard non polar | 33892256 | D-Tagatose,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@](O)(CO)[C@@H](O)[C@H]1O | 1988.6 | Semi standard non polar | 33892256 | D-Tagatose,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@](O)(CO)OC[C@H]1O | 1962.2 | Semi standard non polar | 33892256 | D-Tagatose,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)CO[C@]1(O)CO | 1973.6 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@H](O)[C@@H]1O | 2193.5 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@](O)(CO)OC[C@H]1O | 2159.5 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O | 2199.5 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 2185.6 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 2185.4 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O | 2204.7 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@](CO)(O[Si](C)(C)C(C)(C)C)OC[C@H]1O | 2186.0 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)CO[C@@]1(CO)O[Si](C)(C)C(C)(C)C | 2181.9 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]1(O)CO | 2176.1 | Semi standard non polar | 33892256 | D-Tagatose,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@](O)(CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2151.5 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O | 2432.5 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@](O)(CO)OC[C@H]1O[Si](C)(C)C(C)(C)C | 2409.5 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 2427.2 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 2413.2 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 2419.6 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 2436.8 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 2430.6 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@]1(CO)O[Si](C)(C)C(C)(C)C | 2421.9 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2431.1 | Semi standard non polar | 33892256 | D-Tagatose,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@](CO)(O[Si](C)(C)C(C)(C)C)OC[C@H]1O | 2428.3 | Semi standard non polar | 33892256 | D-Tagatose,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 2666.8 | Semi standard non polar | 33892256 | D-Tagatose,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 2650.9 | Semi standard non polar | 33892256 | D-Tagatose,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 2647.8 | Semi standard non polar | 33892256 | D-Tagatose,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 2658.4 | Semi standard non polar | 33892256 | D-Tagatose,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@](CO)(O[Si](C)(C)C(C)(C)C)OC[C@H]1O[Si](C)(C)C(C)(C)C | 2658.9 | Semi standard non polar | 33892256 | D-Tagatose,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 2869.0 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - D-Tagatose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized) | splash10-0uxs-0931000000-9deccc61a68dc8c51aa7 | 2019-05-23 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - D-Tagatose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized) | splash10-0uxr-0930000000-e1672ba6560efb925aa5 | 2019-05-23 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - D-Tagatose GC-EI-TOF (Non-derivatized) | splash10-0uxs-0931000000-9deccc61a68dc8c51aa7 | 2019-05-23 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - D-Tagatose GC-EI-TOF (Non-derivatized) | splash10-0uxr-0930000000-e1672ba6560efb925aa5 | 2019-05-23 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - D-Tagatose GC-EI-TOF (Non-derivatized) | splash10-0udi-0920000000-c785d191926ead60dc63 | 2019-05-23 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - D-Tagatose GC-EI-TOF (Non-derivatized) | splash10-0uxs-0930000000-0c79b52b64467170ea34 | 2019-05-23 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Tagatose 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-Tagatose Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-001i-1900000000-72ad7431e281814fc59a | 2019-05-23 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tagatose Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-00kb-9000000000-ac1464fac3ca774eb08b | 2019-05-23 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tagatose Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-05mk-9000000000-4bc4673c212944cded87 | 2019-05-23 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tagatose 10V, Negative-QTOF | splash10-004i-6900000000-def874fe6470032fdd27 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tagatose 20V, Negative-QTOF | splash10-056r-9100000000-b495c0f16251b5ee98e1 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tagatose 40V, Negative-QTOF | splash10-0a4l-9000000000-d526231c78d5ea2b9be5 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tagatose 10V, Positive-QTOF | splash10-01pk-0900000000-d9de28ed437f1079125e | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tagatose 20V, Positive-QTOF | splash10-03e9-9700000000-21b6c695fb9bdd5ae08d | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tagatose 40V, Positive-QTOF | splash10-0007-9000000000-7c49e3a2d60cfed68a76 | 2021-09-24 | 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) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 400 MHz, H2O, experimental) | 2019-05-23 | Wishart Lab | View Spectrum |
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