Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:35:00 UTC |
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Update Date | 2022-03-07 02:52:26 UTC |
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HMDB ID | HMDB0030135 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Asticolorin C |
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Description | Asticolorin C belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. Asticolorin C is a mycotoxin of Aspergillus multicolo. Asticolorin C is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CC1=CC2C3C(C)(C1)C1=C(OC4=CC(CO)=CC(O)=C14)C(=O)C3(O)OC1=CC3=C(C4=C(O)C=C(CO)C=C4O3)C(C)=C21 InChI=1S/C33H28O9/c1-13-4-17-24-14(2)25-22(40-20-7-15(11-34)5-18(36)26(20)25)9-23(24)42-33(39)30(17)32(3,10-13)28-27-19(37)6-16(12-35)8-21(27)41-29(28)31(33)38/h4-9,17,30,34-37,39H,10-12H2,1-3H3 |
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Synonyms | Not Available |
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Chemical Formula | C33H28O9 |
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Average Molecular Weight | 568.57 |
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Monoisotopic Molecular Weight | 568.173332494 |
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IUPAC Name | 6,16,24-trihydroxy-8,22-bis(hydroxymethyl)-3,27,29-trimethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5,7,9,13,18(26),20,22,24,29-undecaen-17-one |
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Traditional Name | 6,16,24-trihydroxy-8,22-bis(hydroxymethyl)-3,27,29-trimethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5,7,9,13,18(26),20,22,24,29-undecaen-17-one |
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CAS Registry Number | 93395-44-9 |
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SMILES | CC1=CC2C3C(C)(C1)C1=C(OC4=CC(CO)=CC(O)=C14)C(=O)C3(O)OC1=CC3=C(C4=C(O)C=C(CO)C=C4O3)C(C)=C21 |
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InChI Identifier | InChI=1S/C33H28O9/c1-13-4-17-24-14(2)25-22(40-20-7-15(11-34)5-18(36)26(20)25)9-23(24)42-33(39)30(17)32(3,10-13)28-27-19(37)6-16(12-35)8-21(27)41-29(28)31(33)38/h4-9,17,30,34-37,39H,10-12H2,1-3H3 |
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InChI Key | XVQCWVVYGNETPD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzopyrans |
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Sub Class | 1-benzopyrans |
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Direct Parent | Xanthenes |
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Alternative Parents | Not Available |
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Substituents | Not Available |
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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 | Not Available |
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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 | 320 °C | 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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Asticolorin C,1TMS,isomer #1 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5215.6 | Semi standard non polar | 33892256 | Asticolorin C,1TMS,isomer #2 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5170.3 | Semi standard non polar | 33892256 | Asticolorin C,1TMS,isomer #3 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5240.0 | Semi standard non polar | 33892256 | Asticolorin C,1TMS,isomer #4 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5154.2 | Semi standard non polar | 33892256 | Asticolorin C,1TMS,isomer #5 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5213.9 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #1 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5185.6 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #10 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5142.7 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #2 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5129.5 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #3 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5202.1 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #4 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5161.1 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #5 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5148.6 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #6 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5058.0 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #7 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5155.0 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #8 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5198.6 | Semi standard non polar | 33892256 | Asticolorin C,2TMS,isomer #9 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5127.5 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #1 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5082.2 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #10 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5055.9 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #2 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5111.7 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #3 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5112.3 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #4 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5039.2 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #5 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5037.2 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #6 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5095.9 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #7 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5037.0 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #8 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5077.1 | Semi standard non polar | 33892256 | Asticolorin C,3TMS,isomer #9 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 4977.2 | Semi standard non polar | 33892256 | Asticolorin C,4TMS,isomer #1 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 4965.6 | Semi standard non polar | 33892256 | Asticolorin C,4TMS,isomer #2 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5000.2 | Semi standard non polar | 33892256 | Asticolorin C,4TMS,isomer #3 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 5000.8 | Semi standard non polar | 33892256 | Asticolorin C,4TMS,isomer #4 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO[Si](C)(C)C)C=C5O4)C(C)(C1)C23 | 4942.4 | Semi standard non polar | 33892256 | Asticolorin C,4TMS,isomer #5 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C)=CC(O[Si](C)(C)C)=C5C4=C3C)OC3(O[Si](C)(C)C)C(=O)C4=C(C5=C(O[Si](C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 4941.3 | Semi standard non polar | 33892256 | Asticolorin C,1TBDMS,isomer #1 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C(C)(C)C)C=C5O4)C(C)(C1)C23 | 5410.8 | Semi standard non polar | 33892256 | Asticolorin C,1TBDMS,isomer #2 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5378.5 | Semi standard non polar | 33892256 | Asticolorin C,1TBDMS,isomer #3 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5438.9 | Semi standard non polar | 33892256 | Asticolorin C,1TBDMS,isomer #4 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5367.5 | Semi standard non polar | 33892256 | Asticolorin C,1TBDMS,isomer #5 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C(C)(C)C)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5408.7 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #1 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C(C)(C)C)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C(C)(C)C)C=C5O4)C(C)(C1)C23 | 5574.0 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #10 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5522.0 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #2 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C(C)(C)C)C=C5O4)C(C)(C1)C23 | 5510.6 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #3 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO[Si](C)(C)C(C)(C)C)C=C5O4)C(C)(C1)C23 | 5555.6 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #4 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C(C)(C)C)C=C(CO[Si](C)(C)C(C)(C)C)C=C5O4)C(C)(C1)C23 | 5546.9 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #5 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C(C)(C)C)=CC(O)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5536.7 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #6 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C5C4=C3C)OC3(O)C(=O)C4=C(C5=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5444.9 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #7 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(C5=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C5O4)C(C)(C1)C23 | 5535.8 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #8 | CC1=CC2C3=C(C=C4OC5=CC(CO[Si](C)(C)C(C)(C)C)=CC(O)=C5C4=C3C)OC3(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5551.9 | Semi standard non polar | 33892256 | Asticolorin C,2TBDMS,isomer #9 | CC1=CC2C3=C(C=C4OC5=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C5C4=C3C)OC3(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(C5=C(O)C=C(CO)C=C5O4)C(C)(C1)C23 | 5507.0 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (Non-derivatized) - 70eV, Positive | splash10-0udr-0100090000-c7398dc2842566ed14bd | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (1 TMS) - 70eV, Positive | splash10-00b9-2020049000-92e0b8749086ba55a2ea | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS ("Asticolorin C,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asticolorin C GC-MS (TMS_3_8) - 70eV, Positive | Not Available | 2021-10-15 | 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 - Asticolorin C 10V, Positive-QTOF | splash10-0uxr-0000090000-b379d54efef049237eee | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 20V, Positive-QTOF | splash10-0ue9-0010090000-d01b1cd66c613f3f5ca9 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 40V, Positive-QTOF | splash10-003r-0031190000-4c54968c9f9a52ae244a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 10V, Negative-QTOF | splash10-014i-0010090000-21d8874882aff2d47c32 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 20V, Negative-QTOF | splash10-014s-0000090000-8430188d2a8c64240be8 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 40V, Negative-QTOF | splash10-000e-1441190000-0e57c87cd31b2c48539d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 10V, Positive-QTOF | splash10-014i-0000090000-a049f0aae2d625a8d63e | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 20V, Positive-QTOF | splash10-0gb9-0000090000-c252ccb653fe15deeab5 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 40V, Positive-QTOF | splash10-0203-0126290000-1ec60bbdf8d46ab8e12f | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 10V, Negative-QTOF | splash10-014i-0000090000-6f92910b2041270cc61b | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 20V, Negative-QTOF | splash10-01b9-0000090000-198168617bcd28b41e97 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asticolorin C 40V, Negative-QTOF | splash10-014i-0001290000-9268eb983d630d92bdd0 | 2021-09-24 | Wishart Lab | View Spectrum |
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