Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 00:37:48 UTC |
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Update Date | 2022-03-07 02:56:07 UTC |
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HMDB ID | HMDB0039246 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 6'-Malonyltrifolirhizin |
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Description | 2'-Hydroxygenistein 7-(6''-malonylglucoside) belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. 2'-Hydroxygenistein 7-(6''-malonylglucoside) is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 2'-Hydroxygenistein 7-(6''-malonylglucoside) has been detected, but not quantified in, pulses and white lupines. This could make 2'-hydroxygenistein 7-(6''-malonylglucoside) a potential biomarker for the consumption of these foods. |
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Structure | OC1C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C=C2)C2OC4=CC5=C(OCO5)C=C4C2CO3)C(O)C1O InChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27) |
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Synonyms | Value | Source |
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2'-Hydroxygenistein 7-O-(6''-malonylglucoside) | HMDB | 5,7,2',4'-Tetrahydroxyisoflavone 7-O-(6''-malonylglucoside) | HMDB | Ethyl oxo(2-(trifluoromethyl)anilino)acetate | HMDB | Maackiain 3-O-glucosyl-6''-malonate | HMDB | Trifolirhizin 6'-O-malonate | HMDB | 3-oxo-3-[(3,4,5-Trihydroxy-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy}oxan-2-yl)methoxy]propanoate | Generator |
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Chemical Formula | C25H24O13 |
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Average Molecular Weight | 532.4503 |
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Monoisotopic Molecular Weight | 532.121690854 |
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IUPAC Name | 3-oxo-3-[(3,4,5-trihydroxy-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy}oxan-2-yl)methoxy]propanoic acid |
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Traditional Name | 3-oxo-3-[(3,4,5-trihydroxy-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy}oxan-2-yl)methoxy]propanoic acid |
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CAS Registry Number | 135574-57-1 |
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SMILES | OC1C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C=C2)C2OC4=CC5=C(OCO5)C=C4C2CO3)C(O)C1O |
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InChI Identifier | InChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27) |
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InChI Key | ZHXRWFOBROFZAC-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Isoflavonoids |
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Sub Class | Isoflavonoid O-glycosides |
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Direct Parent | Isoflavonoid O-glycosides |
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Alternative Parents | |
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Substituents | - Isoflavonoid o-glycoside
- Isoflavonoid-7-o-glycoside
- Isoflavone
- Hydroxyisoflavonoid
- Phenolic glycoside
- Chromone
- Glycosyl compound
- O-glycosyl compound
- Benzopyran
- 1-benzopyran
- Resorcinol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Benzenoid
- Pyran
- Monocyclic benzene moiety
- 1,3-dicarbonyl compound
- Oxane
- Monosaccharide
- Dicarboxylic acid or derivatives
- Vinylogous acid
- Heteroaromatic compound
- Secondary alcohol
- Carboxylic acid ester
- Organoheterocyclic compound
- Polyol
- Acetal
- Carboxylic acid derivative
- Oxacycle
- Carboxylic acid
- Organooxygen compound
- Carbonyl group
- Alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Organic oxide
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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 | |
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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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6'-Malonyltrifolirhizin,1TMS,isomer #1 | C[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C1O | 4407.4 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,1TMS,isomer #2 | C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C(O)C1O | 4400.6 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,1TMS,isomer #3 | C[Si](C)(C)OC1C(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)OC(COC(=O)CC(=O)O)C(O)C1O | 4445.1 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,1TMS,isomer #4 | C[Si](C)(C)OC1C(O)C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C1O | 4454.4 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TMS,isomer #1 | C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C(O)C1O[Si](C)(C)C | 4353.7 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TMS,isomer #2 | C[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C)C1O | 4438.2 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TMS,isomer #3 | C[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C1O[Si](C)(C)C | 4429.3 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TMS,isomer #4 | C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C)C(O)C1O | 4377.9 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TMS,isomer #5 | C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C(O[Si](C)(C)C)C1O | 4396.7 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TMS,isomer #6 | C[Si](C)(C)OC1C(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)OC(COC(=O)CC(=O)O)C(O)C1O[Si](C)(C)C | 4433.9 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,3TMS,isomer #1 | C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4352.6 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,3TMS,isomer #2 | C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4361.4 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,3TMS,isomer #3 | C[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4421.3 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,3TMS,isomer #4 | C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4355.7 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,4TMS,isomer #1 | C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4323.5 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C1O | 4635.4 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C(O)C1O | 4639.9 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)OC(COC(=O)CC(=O)O)C(O)C1O | 4687.6 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C1O | 4691.2 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 4808.2 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C(C)(C)C)C1O | 4885.7 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C1O[Si](C)(C)C(C)(C)C | 4887.4 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 4835.8 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 4841.4 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)OC(COC(=O)CC(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C | 4892.3 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 4986.4 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4973.7 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 5048.3 | Semi standard non polar | 33892256 | 6'-Malonyltrifolirhizin,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC=C3C(=C2)OCC2C4=CC5=C(C=C4OC32)OCO5)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 4969.4 | 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 - 6'-Malonyltrifolirhizin GC-MS (Non-derivatized) - 70eV, Positive | splash10-029i-9370230000-9f9ca5c8d038a0d2c9b9 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (2 TMS) - 70eV, Positive | splash10-08gi-8954338000-f45731bf49ae86d52761 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TMS_4_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TBDMS_2_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 6'-Malonyltrifolirhizin GC-MS (TBDMS_2_5) - 70eV, Positive | Not Available | 2021-10-13 | 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 - 6'-Malonyltrifolirhizin 10V, Positive-QTOF | splash10-00kr-2093360000-969c2a8c2bd054c66577 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 20V, Positive-QTOF | splash10-000i-1090100000-cd80a1b18d77c8724740 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 40V, Positive-QTOF | splash10-000l-7590000000-38c42d58ddbbbced3f35 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 10V, Negative-QTOF | splash10-001i-9870560000-2bcab3b3e48a3d734cde | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 20V, Negative-QTOF | splash10-0f89-7590210000-364401dc8ac7cbdf7def | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 40V, Negative-QTOF | splash10-0f89-4390000000-1c3958773d04ba181d04 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 10V, Positive-QTOF | splash10-000i-0090010000-cb91e2f4d1fd40a1c27f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 20V, Positive-QTOF | splash10-000i-0090000000-f4fa0fd9677bfb09f0a0 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 40V, Positive-QTOF | splash10-000l-9780100000-db5866c797adec0cfbdb | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 10V, Negative-QTOF | splash10-001i-2190410000-8222ff3317d8493d1a5e | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 20V, Negative-QTOF | splash10-053r-6061910000-74f4645f1b1e8ffff3e0 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 6'-Malonyltrifolirhizin 40V, Negative-QTOF | splash10-000x-9160000000-e316b3b7412dc39cfbf8 | 2021-09-23 | Wishart Lab | View Spectrum |
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