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 02:40:21 UTC |
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Update Date | 2022-03-07 02:56:51 UTC |
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HMDB ID | HMDB0041035 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Isoannonacin A |
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Description | Isoannonacin A, also known as annonacin-a-one, belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. Thus, isoannonacin a is considered to be a fatty alcohol. Based on a literature review a small amount of articles have been published on Isoannonacin A. |
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Structure | CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC1CC(CC(C)=O)C(=O)O1 InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3 |
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Synonyms | Value | Source |
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Annonacin-a-one | HMDB | Annonacin-a-one, ((2,4-cis)-10R)-isomer | HMDB |
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Chemical Formula | C35H64O7 |
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Average Molecular Weight | 596.8785 |
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Monoisotopic Molecular Weight | 596.465204402 |
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IUPAC Name | 5-{6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl}-3-(2-oxopropyl)oxolan-2-one |
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Traditional Name | 5-{6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl}-3-(2-oxopropyl)oxolan-2-one |
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CAS Registry Number | 123266-22-8 |
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SMILES | CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC1CC(CC(C)=O)C(=O)O1 |
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InChI Identifier | InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3 |
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InChI Key | DGQPZGGOYKKJLX-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty alcohols |
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Direct Parent | Annonaceous acetogenins |
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Alternative Parents | |
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Substituents | - Annonaceae acetogenin skeleton
- Long chain fatty alcohol
- Gamma butyrolactone
- Tetrahydrofuran
- Carboxylic acid ester
- Ketone
- Lactone
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxygen compound
- Organic oxide
- Alcohol
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Not Available | 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 | 91 - 92 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.00018 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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Isoannonacin A,1TMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C)C1CCC(C(O)CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O1 | 4550.4 | Semi standard non polar | 33892256 | Isoannonacin A,1TMS,isomer #2 | CCCCCCCCCCCCC(O)C1CCC(C(CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C)O1 | 4546.4 | Semi standard non polar | 33892256 | Isoannonacin A,1TMS,isomer #3 | CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C)O1 | 4599.0 | Semi standard non polar | 33892256 | Isoannonacin A,1TMS,isomer #4 | CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(O)CCCCCC2CC(C=C(C)O[Si](C)(C)C)C(=O)O2)O1 | 4675.9 | Semi standard non polar | 33892256 | Isoannonacin A,1TMS,isomer #5 | C=C(CC1CC(CCCCCC(O)CCCCC(O)C2CCC(C(O)CCCCCCCCCCCC)O2)OC1=O)O[Si](C)(C)C | 4628.6 | Semi standard non polar | 33892256 | Isoannonacin A,2TMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C)C1CCC(C(CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C)O1 | 4471.3 | Semi standard non polar | 33892256 | Isoannonacin A,2TMS,isomer #2 | CCCCCCCCCCCCC(O[Si](C)(C)C)C1CCC(C(O)CCCCC(CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C)O1 | 4497.2 | Semi standard non polar | 33892256 | Isoannonacin A,2TMS,isomer #3 | CCCCCCCCCCCCC(O[Si](C)(C)C)C1CCC(C(O)CCCCC(O)CCCCCC2CC(C=C(C)O[Si](C)(C)C)C(=O)O2)O1 | 4590.2 | Semi standard non polar | 33892256 | Isoannonacin A,2TMS,isomer #4 | C=C(CC1CC(CCCCCC(O)CCCCC(O)C2CCC(C(CCCCCCCCCCCC)O[Si](C)(C)C)O2)OC1=O)O[Si](C)(C)C | 4555.8 | Semi standard non polar | 33892256 | Isoannonacin A,2TMS,isomer #5 | CCCCCCCCCCCCC(O)C1CCC(C(CCCCC(CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C)O[Si](C)(C)C)O1 | 4494.3 | Semi standard non polar | 33892256 | Isoannonacin A,2TMS,isomer #6 | CCCCCCCCCCCCC(O)C1CCC(C(CCCCC(O)CCCCCC2CC(C=C(C)O[Si](C)(C)C)C(=O)O2)O[Si](C)(C)C)O1 | 4585.6 | Semi standard non polar | 33892256 | Isoannonacin A,2TMS,isomer #7 | C=C(CC1CC(CCCCCC(O)CCCCC(O[Si](C)(C)C)C2CCC(C(O)CCCCCCCCCCCC)O2)OC1=O)O[Si](C)(C)C | 4550.0 | Semi standard non polar | 33892256 | Isoannonacin A,2TMS,isomer #8 | CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(CCCCCC2CC(C=C(C)O[Si](C)(C)C)C(=O)O2)O[Si](C)(C)C)O1 | 4619.5 | Semi standard non polar | 33892256 | Isoannonacin A,2TMS,isomer #9 | C=C(CC1CC(CCCCCC(CCCCC(O)C2CCC(C(O)CCCCCCCCCCCC)O2)O[Si](C)(C)C)OC1=O)O[Si](C)(C)C | 4580.6 | Semi standard non polar | 33892256 | Isoannonacin A,3TMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C)C1CCC(C(CCCCC(CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C)O[Si](C)(C)C)O1 | 4390.8 | Semi standard non polar | 33892256 | Isoannonacin A,3TMS,isomer #2 | CCCCCCCCCCCCC(O[Si](C)(C)C)C1CCC(C(CCCCC(O)CCCCCC2CC(C=C(C)O[Si](C)(C)C)C(=O)O2)O[Si](C)(C)C)O1 | 4494.3 | Semi standard non polar | 33892256 | Isoannonacin A,3TMS,isomer #3 | C=C(CC1CC(CCCCCC(O)CCCCC(O[Si](C)(C)C)C2CCC(C(CCCCCCCCCCCC)O[Si](C)(C)C)O2)OC1=O)O[Si](C)(C)C | 4478.3 | Semi standard non polar | 33892256 | Isoannonacin A,3TMS,isomer #4 | CCCCCCCCCCCCC(O[Si](C)(C)C)C1CCC(C(O)CCCCC(CCCCCC2CC(C=C(C)O[Si](C)(C)C)C(=O)O2)O[Si](C)(C)C)O1 | 4507.2 | Semi standard non polar | 33892256 | Isoannonacin A,3TMS,isomer #5 | C=C(CC1CC(CCCCCC(CCCCC(O)C2CCC(C(CCCCCCCCCCCC)O[Si](C)(C)C)O2)O[Si](C)(C)C)OC1=O)O[Si](C)(C)C | 4489.8 | Semi standard non polar | 33892256 | Isoannonacin A,3TMS,isomer #6 | CCCCCCCCCCCCC(O)C1CCC(C(CCCCC(CCCCCC2CC(C=C(C)O[Si](C)(C)C)C(=O)O2)O[Si](C)(C)C)O[Si](C)(C)C)O1 | 4503.4 | Semi standard non polar | 33892256 | Isoannonacin A,3TMS,isomer #7 | C=C(CC1CC(CCCCCC(CCCCC(O[Si](C)(C)C)C2CCC(C(O)CCCCCCCCCCCC)O2)O[Si](C)(C)C)OC1=O)O[Si](C)(C)C | 4483.7 | Semi standard non polar | 33892256 | Isoannonacin A,4TMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C)C1CCC(C(CCCCC(CCCCCC2CC(C=C(C)O[Si](C)(C)C)C(=O)O2)O[Si](C)(C)C)O[Si](C)(C)C)O1 | 4408.3 | Semi standard non polar | 33892256 | Isoannonacin A,4TMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C)C1CCC(C(CCCCC(CCCCCC2CC(C=C(C)O[Si](C)(C)C)C(=O)O2)O[Si](C)(C)C)O[Si](C)(C)C)O1 | 4292.3 | Standard non polar | 33892256 | Isoannonacin A,4TMS,isomer #2 | C=C(CC1CC(CCCCCC(CCCCC(O[Si](C)(C)C)C2CCC(C(CCCCCCCCCCCC)O[Si](C)(C)C)O2)O[Si](C)(C)C)OC1=O)O[Si](C)(C)C | 4403.1 | Semi standard non polar | 33892256 | Isoannonacin A,4TMS,isomer #2 | C=C(CC1CC(CCCCCC(CCCCC(O[Si](C)(C)C)C2CCC(C(CCCCCCCCCCCC)O[Si](C)(C)C)O2)O[Si](C)(C)C)OC1=O)O[Si](C)(C)C | 4236.8 | Standard non polar | 33892256 | Isoannonacin A,1TBDMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C1CCC(C(O)CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O1 | 4794.5 | Semi standard non polar | 33892256 | Isoannonacin A,1TBDMS,isomer #2 | CCCCCCCCCCCCC(O)C1CCC(C(CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C(C)(C)C)O1 | 4791.6 | Semi standard non polar | 33892256 | Isoannonacin A,1TBDMS,isomer #3 | CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C(C)(C)C)O1 | 4822.3 | Semi standard non polar | 33892256 | Isoannonacin A,1TBDMS,isomer #4 | CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(O)CCCCCC2CC(C=C(C)O[Si](C)(C)C(C)(C)C)C(=O)O2)O1 | 4898.5 | Semi standard non polar | 33892256 | Isoannonacin A,1TBDMS,isomer #5 | C=C(CC1CC(CCCCCC(O)CCCCC(O)C2CCC(C(O)CCCCCCCCCCCC)O2)OC1=O)O[Si](C)(C)C(C)(C)C | 4877.9 | Semi standard non polar | 33892256 | Isoannonacin A,2TBDMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C1CCC(C(CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C(C)(C)C)O1 | 4960.4 | Semi standard non polar | 33892256 | Isoannonacin A,2TBDMS,isomer #2 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C1CCC(C(O)CCCCC(CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C(C)(C)C)O1 | 4975.8 | Semi standard non polar | 33892256 | Isoannonacin A,2TBDMS,isomer #3 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C1CCC(C(O)CCCCC(O)CCCCCC2CC(C=C(C)O[Si](C)(C)C(C)(C)C)C(=O)O2)O1 | 5049.4 | Semi standard non polar | 33892256 | Isoannonacin A,2TBDMS,isomer #4 | C=C(CC1CC(CCCCCC(O)CCCCC(O)C2CCC(C(CCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O2)OC1=O)O[Si](C)(C)C(C)(C)C | 5022.8 | Semi standard non polar | 33892256 | Isoannonacin A,2TBDMS,isomer #5 | CCCCCCCCCCCCC(O)C1CCC(C(CCCCC(CCCCCC2CC(CC(C)=O)C(=O)O2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1 | 4972.9 | Semi standard non polar | 33892256 | Isoannonacin A,2TBDMS,isomer #6 | CCCCCCCCCCCCC(O)C1CCC(C(CCCCC(O)CCCCCC2CC(C=C(C)O[Si](C)(C)C(C)(C)C)C(=O)O2)O[Si](C)(C)C(C)(C)C)O1 | 5048.3 | Semi standard non polar | 33892256 | Isoannonacin A,2TBDMS,isomer #7 | C=C(CC1CC(CCCCCC(O)CCCCC(O[Si](C)(C)C(C)(C)C)C2CCC(C(O)CCCCCCCCCCCC)O2)OC1=O)O[Si](C)(C)C(C)(C)C | 5020.7 | Semi standard non polar | 33892256 | Isoannonacin A,2TBDMS,isomer #8 | CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(CCCCCC2CC(C=C(C)O[Si](C)(C)C(C)(C)C)C(=O)O2)O[Si](C)(C)C(C)(C)C)O1 | 5083.4 | Semi standard non polar | 33892256 | Isoannonacin A,2TBDMS,isomer #9 | C=C(CC1CC(CCCCCC(CCCCC(O)C2CCC(C(O)CCCCCCCCCCCC)O2)O[Si](C)(C)C(C)(C)C)OC1=O)O[Si](C)(C)C(C)(C)C | 5050.9 | 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 - Isoannonacin A GC-MS (Non-derivatized) - 70eV, Positive | splash10-0006-8289240000-bc8155ce7f5e3bad622d | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (1 TMS) - 70eV, Positive | splash10-0006-6029213000-b9eccbc1e19201ee394f | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Isoannonacin A GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-10-16 | 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 - Isoannonacin A 10V, Positive-QTOF | splash10-01t9-0000190000-e94dbe86fae8c6786cdb | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 20V, Positive-QTOF | splash10-03fr-9750780000-d90ba7314f240226ba99 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 40V, Positive-QTOF | splash10-0rk9-9332300000-c1e170f1d0594d03c7c5 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 10V, Negative-QTOF | splash10-0002-0000090000-e861df431dbbf76f5c23 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 20V, Negative-QTOF | splash10-00mk-1222090000-80cc31baa1e0103c4950 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 40V, Negative-QTOF | splash10-0a4m-9243000000-80e4012939d2aaeb6e35 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 10V, Negative-QTOF | splash10-0002-0001090000-7f3a1dbb9b5ece334295 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 20V, Negative-QTOF | splash10-054k-4328290000-52d076a6329556d7f54c | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 40V, Negative-QTOF | splash10-0a4i-9003010000-fe6c70f46923bbc7433c | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 10V, Positive-QTOF | splash10-03fr-0001090000-d8a59a570b03ba24d2f1 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 20V, Positive-QTOF | splash10-03fr-2224190000-d13511762c241dc2bd64 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Isoannonacin A 40V, Positive-QTOF | splash10-0536-9212100000-e4355bea68b69feb6b31 | 2021-09-22 | Wishart Lab | View Spectrum |
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