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 19:22:50 UTC |
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Update Date | 2022-03-07 02:54:08 UTC |
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HMDB ID | HMDB0034525 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Barringtogenol C |
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Description | Barringtogenol C, also known as theasapogenol b, 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 Barringtogenol C. |
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Structure | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3 |
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Synonyms | Value | Source |
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22-O-Acetyl-21-O-(4'-O-angeloyl)-beta-D-fucopyranosyl theasapogenol b | MeSH | Theasapogenol b | MeSH | Acutangenol b | HMDB | Aescinidin | HMDB | Barrigenol R2 | HMDB | Careyagenol a | HMDB | Escinidin | HMDB | Giganteumgenin m | HMDB | Jegosapogenol | HMDB | Jegosapogenol a | HMDB | Olean-12-ene-3beta,16alpha,21beta,22alpha,28-pentol | HMDB | Proschiwalligenin PB1 | HMDB | Saniculagenin D | HMDB |
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Chemical Formula | C30H50O5 |
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Average Molecular Weight | 490.715 |
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Monoisotopic Molecular Weight | 490.36582471 |
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IUPAC Name | 4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-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-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-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 | 13844-01-4 |
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SMILES | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O |
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InChI Identifier | InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3 |
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InChI Key | AYDKOFQQBHRXEW-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
- 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 | |
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Role | |
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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 | 302 - 308 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.11 mg/L @ 25 °C (est) | The Good Scents Company Information System | 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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Barringtogenol C,1TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O | 4189.4 | Semi standard non polar | 33892256 | Barringtogenol C,1TMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O | 4181.4 | Semi standard non polar | 33892256 | Barringtogenol C,1TMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O | 4161.0 | Semi standard non polar | 33892256 | Barringtogenol C,1TMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O | 4164.3 | Semi standard non polar | 33892256 | Barringtogenol C,1TMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C | 4194.5 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O | 4239.0 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #10 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4232.7 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O | 4234.7 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O | 4176.5 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C | 4244.4 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O | 4222.7 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O | 4165.3 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #7 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O[Si](C)(C)C | 4228.9 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #8 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4196.4 | Semi standard non polar | 33892256 | Barringtogenol C,2TMS,isomer #9 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4243.1 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO[Si](C)(C)C)C(O)C1O | 4184.7 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #10 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4215.8 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O[Si](C)(C)C)C1O | 4049.6 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C2(CO)C(O)C1O[Si](C)(C)C | 4148.4 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4113.1 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4185.6 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4161.4 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #7 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4115.8 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #8 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4179.6 | Semi standard non polar | 33892256 | Barringtogenol C,3TMS,isomer #9 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4139.4 | Semi standard non polar | 33892256 | Barringtogenol C,4TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)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 | 4006.1 | Semi standard non polar | 33892256 | Barringtogenol C,4TMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)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 | 4072.8 | Semi standard non polar | 33892256 | Barringtogenol C,4TMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)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 | 4034.4 | Semi standard non polar | 33892256 | Barringtogenol C,4TMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)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 | 4090.1 | Semi standard non polar | 33892256 | Barringtogenol C,4TMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4071.1 | Semi standard non polar | 33892256 | Barringtogenol C,5TMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)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 | 3977.9 | Semi standard non polar | 33892256 | Barringtogenol C,1TBDMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O | 4412.9 | Semi standard non polar | 33892256 | Barringtogenol C,1TBDMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O)C1O | 4406.6 | Semi standard non polar | 33892256 | Barringtogenol C,1TBDMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O | 4402.3 | Semi standard non polar | 33892256 | Barringtogenol C,1TBDMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O | 4388.3 | Semi standard non polar | 33892256 | Barringtogenol C,1TBDMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4423.4 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C2(CO)C(O)C1O | 4684.7 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #10 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4686.1 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1O | 4689.4 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1O | 4616.9 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4695.7 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4682.5 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4596.3 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #7 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4667.5 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #8 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4651.9 | Semi standard non polar | 33892256 | Barringtogenol C,2TBDMS,isomer #9 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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 | 4695.4 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #1 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(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 | 4829.4 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #10 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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[Si](C)(C)C(C)(C)C | 4842.2 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #2 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(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 | 4707.7 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #3 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(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 | 4803.7 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #4 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(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 | 4764.0 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #5 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(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 | 4828.2 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #6 | CC1(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(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 | 4810.6 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #7 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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[Si](C)(C)C(C)(C)C)C1O | 4738.9 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #8 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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[Si](C)(C)C(C)(C)C | 4803.2 | Semi standard non polar | 33892256 | Barringtogenol C,3TBDMS,isomer #9 | CC1(C)CC2C3=CCC4C5(C)CCC(O)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[Si](C)(C)C(C)(C)C | 4774.5 | 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 - Barringtogenol C GC-MS (Non-derivatized) - 70eV, Positive | splash10-0mdj-0001900000-a1ea6fe6723220f971af | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (2 TMS) - 70eV, Positive | splash10-0gb9-1000049000-33d1a8667a7747bda7b5 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TMS_3_8) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TMS_4_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TMS_4_2) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TMS_4_5) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TMS_5_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TBDMS_2_5) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TBDMS_2_10) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TBDMS_3_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TBDMS_3_6) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TBDMS_3_7) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TBDMS_3_8) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TBDMS_3_9) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (TBDMS_3_10) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Barringtogenol C GC-MS ("Barringtogenol C,2TMS,#5" TMS) - 70eV, Positive | Not Available | 2021-10-14 | 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 - Barringtogenol C 10V, Positive-QTOF | splash10-0ab9-0000900000-4e6a24e6a2efaa813dd1 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 20V, Positive-QTOF | splash10-0a4i-0000900000-ced69eb691d259ef290a | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 40V, Positive-QTOF | splash10-0a4i-1243900000-ff0fb0f9f3af54f85a0c | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 10V, Negative-QTOF | splash10-0079-0000900000-d3e96e309f80891e68e0 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 20V, Negative-QTOF | splash10-059f-0000900000-1930da7929ac6933f115 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 40V, Negative-QTOF | splash10-052f-1001900000-603fb582afe63d058ced | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 10V, Negative-QTOF | splash10-000i-0000900000-63740c473024d2c37802 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 20V, Negative-QTOF | splash10-052f-0000900000-3962d1b381d0ea60953a | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 40V, Negative-QTOF | splash10-0ab9-6001900000-3ad9dbea4fd3c4adfef8 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 10V, Positive-QTOF | splash10-0006-0000900000-562ec7028873c72bb558 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 20V, Positive-QTOF | splash10-059m-0629300000-61baaa1291d118ff895b | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Barringtogenol C 40V, Positive-QTOF | splash10-00di-1819000000-02eb60dd1764897b837f | 2021-09-25 | Wishart Lab | View Spectrum |
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