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4-OH-PhLac343
General Description
| Name | Value |
|---|
| Level | S-2 / C-1 |
| Discovered | 2017 / div. |
| Synonym | PA 366 |
| Molecular formula | C₁₉H₃₄N₄O₃ |
| CAS | — |
| SMILES | NCCCNCCCCNCCCNC(C(O)CC1=CC=C(O)C=C1)=O |
| InChI | InChI=1S/C19H34N4O3/c20-9-3-12-21-10-1-2-11-22-13-4-14-23-19(26)18(25)15-16-5-7-17(24)8-6-16/h5-8,18,21-22,24-25H,1-4,9-15,20H2,(H,23,26) |
| |
| Precursor 1 [M+H]⁺ | 367.27037 |
| Precursor 2 [M+2H]²⁺ | 184.13882 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 375.32058 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 188.66707 |
| Precursor HDX 3 | |
| |
| Rt | 3.18 |
| Rt HDX | 2.50 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 222.11247 | 204.10191 | 205.08592 | 239.13902 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 293.18597 | 275.17540 | 276.15942 | 310.21252 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 350.24382 | 332.23325 | 333.21727 | 367.27037 | 186.19647 | 169.16993 | 203.22302 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 367.27037 | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | HDX | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| The aromatic head group of spider toxin polyamines influences toxicity to cancer cells | D. Wilson, G. M. Boyle, L. McIntyre, M. J. Nolan, P. G. Parson, J. J. Smith, L. Tribolet, A. Loukas, M. J. Liddell, L. D. Rash, Toxins 2017, 9, 346 | div. | PA 366 | MALDI-MS/MS, NMR, Activity-studies | 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 |
|---|
| Acanthoscurria geniculata | Theraphosidae | 2017 / D. Wilson |
| Atrax robustus | Atracidae | 2017 / D. Wilson |
| Chilobrachys sp. | Theraphosidae | 2017 / D. Wilson |
| Psalmopoeus irminia | Theraphosidae | 2017 / D. Wilson |
| Selenocosmia sp. | Theraphosidae | 2017 / D. Wilson |