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IndAc333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₁₉H₃₁N₅O |
| CAS | — |
| SMILES | O=C(NCCCNCCCNCCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C19H31N5O/c20-8-3-9-21-10-4-11-22-12-5-13-23-19(25)14-16-15-24-18-7-2-1-6-17(16)18/h1-2,6-7,15,21-22,24H,3-5,8-14,20H2,(H,23,25) |
| |
| Precursor 1 [M+H]⁺ | 346.26014 |
| Precursor 2 [M+2H]²⁺ | 173.63371 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 353.30407 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 177.65881 |
| Precursor HDX 3 | |
| |
| Rt | 7.68 |
| Rt HDX | 6.28 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 232.14444 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 272.17574 | 254.16517 | 255.14919 | 289.20229 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 329.23359 | 311.22302 | 312.20704 | 346.26014 | 172.18082 | 155.15428 | 189.20737 |
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 | 346.26014 | | 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 |