Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2019-10-08 15:49:15 UTC |
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Update Date | 2022-03-07 03:18:16 UTC |
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HMDB ID | HMDB0240464 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 4-Methylumbelliferone glucuronide |
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Description | 4-Methylumbelliferone glucuronide, also known as 4-MUG or hymecromone glucuronide, belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Based on a literature review a significant number of articles have been published on 4-Methylumbelliferone glucuronide. |
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Structure | [H][C@@]1(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1 |
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Synonyms | Value | Source |
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4-Methylumbelliferyl beta-glucuronide | ChEBI | 4-Methylumbelliferyl glucuronide | ChEBI | 4-MUG | ChEBI | 4-Methylumbelliferyl b-glucuronide | Generator | 4-Methylumbelliferyl β-glucuronide | Generator | 4-Methylumbelliferone b-D-glucuronide | HMDB | 4-Methylumbelliferone β-D-glucuronide | HMDB | Hymecromone glucuronide | HMDB | 4-Methylumbelliferyl-beta-D-glucuronide | HMDB | 4-Methylumbelliferone glucuronide | ChEBI |
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Chemical Formula | C16H16O9 |
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Average Molecular Weight | 352.295 |
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Monoisotopic Molecular Weight | 352.079432095 |
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IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid |
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Traditional Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4-methyl-2-oxochromen-7-yl)oxy]oxane-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O |
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InChI Identifier | InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1 |
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InChI Key | ARQXEQLMMNGFDU-JHZZJYKESA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Coumarins and derivatives |
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Sub Class | Coumarin glycosides |
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Direct Parent | Coumarin glycosides |
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Alternative Parents | |
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Substituents | - Coumarin-7-o-glycoside
- Coumarin o-glycoside
- Phenolic glycoside
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- O-glycosyl compound
- Glycosyl compound
- Benzopyran
- 1-benzopyran
- Pyranone
- Beta-hydroxy acid
- Benzenoid
- Pyran
- Oxane
- Hydroxy acid
- Monosaccharide
- Heteroaromatic compound
- Secondary alcohol
- Lactone
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Carboxylic acid derivative
- Carboxylic acid
- Acetal
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- 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 | 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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4-Methylumbelliferone glucuronide,1TMS,isomer #1 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)=CC=C12 | 3090.0 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,1TMS,isomer #2 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=CC=C12 | 3076.9 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,1TMS,isomer #3 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=CC=C12 | 3070.0 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,1TMS,isomer #4 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=CC=C12 | 3085.5 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TMS,isomer #1 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=CC=C12 | 3053.9 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TMS,isomer #2 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=CC=C12 | 3060.5 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TMS,isomer #3 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=CC=C12 | 3052.7 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TMS,isomer #4 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=CC=C12 | 3037.9 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TMS,isomer #5 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=CC=C12 | 3054.1 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TMS,isomer #6 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=CC=C12 | 3048.5 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,3TMS,isomer #1 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=CC=C12 | 3067.2 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,3TMS,isomer #2 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=CC=C12 | 3086.1 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,3TMS,isomer #3 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=CC=C12 | 3072.1 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,3TMS,isomer #4 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=CC=C12 | 3070.4 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,4TMS,isomer #1 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=CC=C12 | 3156.2 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,1TBDMS,isomer #1 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)=CC=C12 | 3392.2 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,1TBDMS,isomer #2 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=CC=C12 | 3359.7 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,1TBDMS,isomer #3 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=CC=C12 | 3364.3 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,1TBDMS,isomer #4 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C12 | 3385.3 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TBDMS,isomer #1 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=CC=C12 | 3606.1 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TBDMS,isomer #2 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=CC=C12 | 3588.5 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TBDMS,isomer #3 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C12 | 3606.1 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TBDMS,isomer #4 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=CC=C12 | 3568.6 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TBDMS,isomer #5 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C12 | 3586.1 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,2TBDMS,isomer #6 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C12 | 3589.0 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,3TBDMS,isomer #1 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=CC=C12 | 3786.3 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,3TBDMS,isomer #2 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C12 | 3828.6 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,3TBDMS,isomer #3 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C12 | 3789.3 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,3TBDMS,isomer #4 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C12 | 3790.2 | Semi standard non polar | 33892256 | 4-Methylumbelliferone glucuronide,4TBDMS,isomer #1 | CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=CC=C12 | 3993.3 | Semi standard non 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 - 4-Methylumbelliferone glucuronide 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 - 4-Methylumbelliferone glucuronide 40V, Positive-QTOF | splash10-004i-0900000000-79aba5b5b355fd394e8a | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 10V, Positive-QTOF | splash10-004i-0900000000-696c689a35ca7f93c50b | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 20V, Positive-QTOF | splash10-004i-0900000000-4812341730fbb5fccf56 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 45V, Positive-QTOF | splash10-004i-0900000000-73c633dd3fad5d9972ea | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 35V, Positive-QTOF | splash10-004i-0900000000-4ba618c7bd3786de3b6f | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 15V, Positive-QTOF | splash10-004i-0900000000-7ed563397452830d1cd0 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 20V, Positive-QTOF | splash10-004i-0900000000-971db98d6f938415ef32 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 55V, Positive-QTOF | splash10-004i-0900000000-a77a898beecc7afa6dc0 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 70V, Positive-QTOF | splash10-004i-0900000000-36850f8ae62f4ca80353 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 10V, Positive-QTOF | splash10-004i-0904000000-d00bd023e4d865824a5b | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 10V, Positive-QTOF | splash10-0fb9-0908000000-8437d43ca21fb7f56c8d | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 20V, Positive-QTOF | splash10-004i-0901000000-59b75ff8e7cbdb44284e | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 40V, Positive-QTOF | splash10-004r-1900000000-a84768a64b91c0d85c85 | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 10V, Negative-QTOF | splash10-0zi0-1619000000-702aaeb826fa749a707b | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 20V, Negative-QTOF | splash10-004i-1912000000-d4e5faeb7a26a7e58dbb | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 40V, Negative-QTOF | splash10-004i-2900000000-3c6fcb46abbd23754dfe | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 10V, Positive-QTOF | splash10-004i-0902000000-4b5ceb4db804228cba97 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 20V, Positive-QTOF | splash10-004i-0912000000-6e7ac32c8733bca2ee8a | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 40V, Positive-QTOF | splash10-056r-2693000000-13ebe8d0a5647ce4ca90 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 10V, Negative-QTOF | splash10-004i-0901000000-eeb5e2244aec06f27125 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 20V, Negative-QTOF | splash10-004i-1900000000-99bba18b20877a24b6c5 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Methylumbelliferone glucuronide 40V, Negative-QTOF | splash10-004i-2900000000-b3619320fda1a2d0ef7f | 2021-09-22 | 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) | 2021-09-25 | 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 |
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