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IndAc3(OH)3(OH)35(NMe₃)⁺
3(OH)35(NMe3).png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₇H₄₉N₆O₃⁺ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCN(O)CCCNCCCCC[N+](C)(C)C)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C27H48N6O3/c1-33(2,3)21-8-4-7-14-28-15-9-17-31(35)19-11-20-32(36)18-10-16-29-27(34)22-24-23-30-26-13-6-5-12-25(24)26/h5-6,12-13,23,28,30,35-36H,4,7-11,14-22H2,1-3H3/p+1 |
| |
| Precursor 1 M⁺ | 505.38607 |
| Precursor 2 [M+H]²⁺ | 253.19667 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 619.37893 |
| |
| HDX | 5 |
| Precursor HDX M(D₅)⁺ | 510.41745 |
| Precursor HDX 2 [M(D₅)+D]²⁺ | 256.21550 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 625.41659 |
| |
| Rt | 11.68 |
| Rt HDX | 9.99 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 248.13935 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 321.19212 | 185.20123 | 167.16685 | 219.23051 |
| 3 | 361.22342 | 343.21285 | 344.19687 | 378.24997 | 258.25399 | 239.21179 | 292.28328 |
| 4 | 446.31257 | 428.30200 | 429.28602 | 505.38607 | 331.30675 | 311.25673 | 349.34113 |
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 | 505.38607 | | 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 |