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IndAc5(OH)3(OH)33
3(OH)33.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₄H₄₂N₆O₃ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NCCCCCN(O)CCCN(O)CCCNCCCN |
| InChI | InChI=1S/C24H42N6O3/c25-11-6-12-26-13-7-16-30(33)18-8-17-29(32)15-5-1-4-14-27-24(31)19-21-20-28-23-10-3-2-9-22(21)23/h2-3,9-10,20,26,28,32-33H,1,4-8,11-19,25H2,(H,27,31) |
| |
| Precursor 1 [M+H]⁺ | 463.33912 |
| Precursor 2 [M+2H]²⁺ | 232.17320 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 471.38933 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 236.70144 |
| Precursor HDX 3 | |
| |
| Rt | 13.39 |
| Rt HDX | 11.65 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 243.14919 | 225.13862 | 226.12264 | 276.17065 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 316.20195 | 298.19139 | 299.17540 | 349.22342 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 389.25472 | 371.24415 | 372.22817 | 406.28127 | 188.17574 | 171.14919 | 221.19720 |
| 4 | 446.31257 | 428.30200 | 429.28602 | 463.33912 | 289.25980 | 272.23325 | 306.28635 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 463.33912 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Low molecular mass compounds in spider venom | Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation | div. | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |