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 19:22:23 UTC |
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Update Date | 2022-03-07 02:54:08 UTC |
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HMDB ID | HMDB0034519 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Theasapogenol A |
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Description | Theasapogenol A, also known as protoescigenin, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a small amount of articles have been published on Theasapogenol A. |
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Structure | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3 |
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Synonyms | Value | Source |
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Protoescigenin | HMDB |
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Chemical Formula | C30H50O6 |
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Average Molecular Weight | 506.7144 |
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Monoisotopic Molecular Weight | 506.360739332 |
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IUPAC Name | 4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,10-tetrol |
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Traditional Name | 4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,10-tetrol |
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CAS Registry Number | 13844-22-9 |
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SMILES | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O |
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InChI Identifier | InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3 |
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InChI Key | VKJLHZZPVLQJKG-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- Steroid
- Cyclic alcohol
- Secondary alcohol
- Polyol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic 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 | 301 - 303 °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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Theasapogenol A,1TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O | 4370.1 | Semi standard non polar | 33892256 | Theasapogenol A,1TMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O | 4359.2 | Semi standard non polar | 33892256 | Theasapogenol A,1TMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O | 4366.6 | Semi standard non polar | 33892256 | Theasapogenol A,1TMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O | 4349.5 | Semi standard non polar | 33892256 | Theasapogenol A,1TMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O | 4345.8 | Semi standard non polar | 33892256 | Theasapogenol A,1TMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C | 4384.4 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O | 4435.5 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #10 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O | 4406.3 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #11 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O | 4331.4 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #12 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O[Si](C)(C)C | 4404.6 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #13 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4372.8 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #14 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4430.8 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #15 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4403.6 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O | 4419.7 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O | 4414.0 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O | 4358.4 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C | 4429.0 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O | 4413.2 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #7 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O | 4398.1 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #8 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O | 4350.1 | Semi standard non polar | 33892256 | Theasapogenol A,2TMS,isomer #9 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C | 4424.4 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O | 4406.4 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #10 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4332.3 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #11 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O | 4355.1 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #12 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O | 4216.1 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #13 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O[Si](C)(C)C | 4321.6 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #14 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4282.7 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #15 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4347.2 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #16 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4319.0 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #17 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4288.2 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #18 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4353.9 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #19 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4302.8 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O | 4405.4 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #20 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4373.6 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O | 4317.9 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C | 4415.9 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O | 4367.1 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O | 4228.5 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #7 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O[Si](C)(C)C | 4329.5 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #8 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4298.4 | Semi standard non polar | 33892256 | Theasapogenol A,3TMS,isomer #9 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4362.7 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O | 4244.2 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #10 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4231.5 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #11 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4145.9 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #12 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4205.6 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #13 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4161.9 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #14 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4213.2 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #15 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4212.1 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O | 4146.0 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O[Si](C)(C)C | 4238.9 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4186.1 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4247.1 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4230.0 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #7 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4155.0 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #8 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4211.4 | Semi standard non polar | 33892256 | Theasapogenol A,4TMS,isomer #9 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4174.1 | Semi standard non polar | 33892256 | Theasapogenol A,5TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4055.8 | Semi standard non polar | 33892256 | Theasapogenol A,5TMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4111.4 | Semi standard non polar | 33892256 | Theasapogenol A,5TMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4085.2 | Semi standard non polar | 33892256 | Theasapogenol A,5TMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4109.2 | Semi standard non polar | 33892256 | Theasapogenol A,5TMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4091.4 | Semi standard non polar | 33892256 | Theasapogenol A,5TMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4086.9 | Semi standard non polar | 33892256 | Theasapogenol A,1TBDMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O | 4597.5 | Semi standard non polar | 33892256 | Theasapogenol A,1TBDMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O | 4599.0 | Semi standard non polar | 33892256 | Theasapogenol A,1TBDMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O)C1O | 4588.4 | Semi standard non polar | 33892256 | Theasapogenol A,1TBDMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O | 4586.6 | Semi standard non polar | 33892256 | Theasapogenol A,1TBDMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O | 4567.4 | Semi standard non polar | 33892256 | Theasapogenol A,1TBDMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4614.8 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O | 4890.4 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #10 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O | 4846.9 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #11 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O | 4766.8 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #12 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4847.3 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #13 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 4814.2 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #14 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 4869.0 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #15 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4847.1 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O)C1O | 4857.8 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O | 4859.6 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O | 4799.9 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4877.6 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O)C1O | 4859.1 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #7 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O | 4848.6 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #8 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O | 4796.2 | Semi standard non polar | 33892256 | Theasapogenol A,2TBDMS,isomer #9 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4870.2 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O)C1O | 5051.0 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #10 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4998.7 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #11 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O | 4986.2 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #12 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O | 4863.4 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #13 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4963.4 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #14 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 4913.8 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #15 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 4983.4 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #16 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4970.1 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #17 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 4905.6 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #18 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 4985.8 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #19 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4953.1 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O | 5055.8 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #20 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 5012.9 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O | 4966.4 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 5063.4 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O | 5013.0 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O | 4894.2 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #7 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4995.7 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #8 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 4945.7 | Semi standard non polar | 33892256 | Theasapogenol A,3TBDMS,isomer #9 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 5014.1 | 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 - Theasapogenol A GC-MS (Non-derivatized) - 70eV, Positive | splash10-004u-0001900000-0b2980ab9e92051397db | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (2 TMS) - 70eV, Positive | splash10-0080-0000019000-1ba727a2ca209e4757bd | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_3_11) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_3_17) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_3_18) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_4_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_4_7) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_4_8) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_4_11) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_4_12) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_4_15) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_5_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_5_2) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_5_5) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TMS_5_6) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TBDMS_2_10) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TBDMS_2_15) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TBDMS_3_5) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TBDMS_3_10) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TBDMS_3_11) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TBDMS_3_16) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TBDMS_3_17) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Theasapogenol A GC-MS (TBDMS_3_18) - 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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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 10V, Positive-QTOF | splash10-00dr-0000910000-7dea62c21471db8922ee | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 20V, Positive-QTOF | splash10-00di-0000900000-ab2553caeaadca702d26 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 40V, Positive-QTOF | splash10-00di-2265900000-a588d165aa5264453716 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 10V, Positive-QTOF | splash10-00dr-0000910000-7dea62c21471db8922ee | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 20V, Positive-QTOF | splash10-00di-0000900000-ab2553caeaadca702d26 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 40V, Positive-QTOF | splash10-00di-2265900000-a588d165aa5264453716 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 10V, Positive-QTOF | splash10-00dr-0000910000-7dea62c21471db8922ee | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 20V, Positive-QTOF | splash10-00di-0000900000-ab2553caeaadca702d26 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 40V, Positive-QTOF | splash10-00di-2265900000-a588d165aa5264453716 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 10V, Negative-QTOF | splash10-0a4r-0000950000-8e914401198dadabc6e2 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 20V, Negative-QTOF | splash10-0a4r-0000900000-d6fd15b4738c1ea03dfa | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 40V, Negative-QTOF | splash10-0a4i-0000900000-ec4aca1934e945072b7a | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 10V, Negative-QTOF | splash10-0a4r-0000950000-8e914401198dadabc6e2 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 20V, Negative-QTOF | splash10-0a4r-0000900000-d6fd15b4738c1ea03dfa | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 40V, Negative-QTOF | splash10-0a4i-0000900000-ec4aca1934e945072b7a | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 10V, Negative-QTOF | splash10-0a4r-0000950000-8e914401198dadabc6e2 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 20V, Negative-QTOF | splash10-0a4r-0000900000-d6fd15b4738c1ea03dfa | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 40V, Negative-QTOF | splash10-0a4i-0000900000-ec4aca1934e945072b7a | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 10V, Positive-QTOF | splash10-0a4i-0002690000-1c82968862347ce4c72a | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 20V, Positive-QTOF | splash10-0a4s-0509510000-d70c99f514a2251e43e6 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 40V, Positive-QTOF | splash10-00xr-2905100000-c75f0b744a787a695216 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 10V, Negative-QTOF | splash10-0a4i-0000090000-09e3bd782656a6236391 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 20V, Negative-QTOF | splash10-0a6r-0000910000-e402281028bb7550fcee | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Theasapogenol A 40V, Negative-QTOF | splash10-0a4i-3001910000-39cb2767018ca9169329 | 2021-09-22 | Wishart Lab | View Spectrum |
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