Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-11 17:52:06 UTC |
---|
Update Date | 2022-03-07 02:53:29 UTC |
---|
HMDB ID | HMDB0032831 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | 22-Angeloyltheasapogenol A |
---|
Description | 22-Angeloyltheasapogenol A 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 22-Angeloyltheasapogenol A. |
---|
Structure | C\C=C(\C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO InChI=1S/C35H56O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,22-28,36-40H,11-19H2,1-8H3/b20-9- |
---|
Synonyms | Value | Source |
---|
3,5,10-Trihydroxy-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-icosahydropicen-4-yl (2Z)-2-methylbut-2-enoic acid | HMDB |
|
---|
Chemical Formula | C35H56O7 |
---|
Average Molecular Weight | 588.8149 |
---|
Monoisotopic Molecular Weight | 588.402604146 |
---|
IUPAC Name | 3,5,10-trihydroxy-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-icosahydropicen-4-yl (2Z)-2-methylbut-2-enoate |
---|
Traditional Name | 3,5,10-trihydroxy-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-tetradecahydropicen-4-yl (2Z)-2-methylbut-2-enoate |
---|
CAS Registry Number | 200492-44-0 |
---|
SMILES | C\C=C(\C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO |
---|
InChI Identifier | InChI=1S/C35H56O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,22-28,36-40H,11-19H2,1-8H3/b20-9- |
---|
InChI Key | BKBHDJLHSWOMFP-UKWGHVSLSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Triterpenoids |
---|
Direct Parent | Triterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Triterpenoid
- Hydroxysteroid
- 16-oxosteroid
- Oxosteroid
- 7-hydroxysteroid
- Steroid
- Fatty acid ester
- Fatty acyl
- Cyclic alcohol
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Secondary alcohol
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Alcohol
- Primary alcohol
- Carbonyl group
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | |
---|
Role | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | 202 - 204 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.035 mg/L @ 25 °C (est) | The Good Scents Company Information System | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
22-Angeloyltheasapogenol A,1TMS,isomer #1 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO | 4735.0 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,1TMS,isomer #2 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO | 4708.0 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,1TMS,isomer #3 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO | 4695.5 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,1TMS,isomer #4 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO | 4693.0 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,1TMS,isomer #5 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C | 4724.8 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #1 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO | 4672.3 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #10 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO[Si](C)(C)C | 4635.5 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #2 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO | 4661.5 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #3 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO | 4641.5 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #4 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C | 4703.3 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #5 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO | 4655.0 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #6 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO | 4599.4 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #7 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C | 4658.7 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #8 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO | 4587.0 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TMS,isomer #9 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C | 4640.7 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #1 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO | 4570.9 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #10 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO[Si](C)(C)C | 4523.5 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #2 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO | 4529.3 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #3 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C | 4578.0 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #4 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO | 4517.6 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #5 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C | 4561.4 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #6 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO[Si](C)(C)C | 4559.5 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #7 | C/C=C(/C)C(=O)OC1C(O)C(C)(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)C21CO | 4521.4 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #8 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C | 4560.6 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,3TMS,isomer #9 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO[Si](C)(C)C | 4529.4 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,4TMS,isomer #1 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(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)C21CO | 4428.3 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,4TMS,isomer #2 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C | 4448.2 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,4TMS,isomer #3 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO[Si](C)(C)C | 4435.2 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,4TMS,isomer #4 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C)C5CCC4(C)C3(C)CC(O[Si](C)(C)C)C21CO[Si](C)(C)C | 4428.4 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,4TMS,isomer #5 | C/C=C(/C)C(=O)OC1C(O)C(C)(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)C21CO[Si](C)(C)C | 4420.9 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,1TBDMS,isomer #1 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C(C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO | 4958.4 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,1TBDMS,isomer #2 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO | 4926.1 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,1TBDMS,isomer #3 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO | 4914.5 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,1TBDMS,isomer #4 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C21CO | 4909.3 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,1TBDMS,isomer #5 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C(C)(C)C | 4944.1 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #1 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C(C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO | 5129.0 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #10 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C21CO[Si](C)(C)C(C)(C)C | 5055.6 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #2 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C(C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO | 5096.2 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #3 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C(C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O[Si](C)(C)C(C)(C)C)C21CO | 5091.8 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #4 | C/C=C(/C)C(=O)OC1C(O[Si](C)(C)C(C)(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C(C)(C)C | 5138.7 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #5 | C/C=C(/C)C(=O)OC1C(O)C(C)(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)C21CO | 5091.5 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #6 | C/C=C(/C)C(=O)OC1C(O)C(C)(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)C21CO | 5045.7 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #7 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C(C)(C)C | 5090.5 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #8 | C/C=C(/C)C(=O)OC1C(O)C(C)(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)C21CO | 5018.1 | Semi standard non polar | 33892256 | 22-Angeloyltheasapogenol A,2TBDMS,isomer #9 | C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C5CCC4(C)C3(C)CC(O)C21CO[Si](C)(C)C(C)(C)C | 5060.0 | Semi standard non polar | 33892256 |
|
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (Non-derivatized) - 70eV, Positive | splash10-00e9-3005690000-129504c217fc86d755cd | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS ("22-Angeloyltheasapogenol A,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 22-Angeloyltheasapogenol A 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 |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 10V, Positive-QTOF | splash10-0fk9-1000290000-615ee39dc6ad53d34d3f | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 20V, Positive-QTOF | splash10-0uk9-4000290000-d6a7f018fa8934de1c08 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 40V, Positive-QTOF | splash10-0ff0-9000410000-5e61a65c4aa0fd023446 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 10V, Negative-QTOF | splash10-000i-1000090000-2390c00d69be9926c49e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 20V, Negative-QTOF | splash10-052r-2000290000-d4cbe596dba7240730fd | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 40V, Negative-QTOF | splash10-0aba-9000430000-46987b15bd6998637fad | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 10V, Negative-QTOF | splash10-000i-1000090000-b4ade65a0a6382cd646d | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 20V, Negative-QTOF | splash10-004j-6000930000-14359933a763eed0161e | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 40V, Negative-QTOF | splash10-0pb9-9000120000-659293b16d2e424cebc2 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 10V, Positive-QTOF | splash10-000i-0000190000-c5ce1239a51ef972265d | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 20V, Positive-QTOF | splash10-00du-0220980000-64ce2871f4f05493c986 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 22-Angeloyltheasapogenol A 40V, Positive-QTOF | splash10-0aou-6911210000-3f4b1ceb426f4a0d4499 | 2021-09-23 | Wishart Lab | View Spectrum |
|
---|