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2,4-(OH)₂-PhAcAsn4ßAla3Arg
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₂₈H₄₈N₁₀O₇ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNC(CCNCCCNC(C(N)CCCNC(N)=N)=O)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C28H48N10O7/c29-20(5-3-12-37-28(31)32)26(44)35-13-4-9-33-14-8-24(42)34-10-1-2-11-36-27(45)21(17-23(30)41)38-25(43)15-18-6-7-19(39)16-22(18)40/h6-7,16,20-21,33,39-40H,1-5,8-15,17,29H2,(H2,30,41)(H,34,42)(H,35,44)(H,36,45)(H,38,43)(H4,31,32,37) |
| |
| Precursor 1 [M+H]⁺ | 637.37802 |
| Precursor 2 [M+2H]²⁺ | 319.19265 |
| Precursor 3 | |
| |
| HDX | 15 |
| Precursor HDX [M(D₁₅)+D]⁺ | 653.47845 |
| Precursor HDX 2 [M(D₁₅)+2D]²⁺ | 327.74600 |
| Precursor HDX 3 | |
| |
| Rt | 5.75 |
| Rt HDX | 4.63 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 214.16624 | 197.13969 | 231.19279 |
| 2 | 336.15540 | 318.14483 | 319.12885 | 353.18195 | 285.20335 | 268.17680 | 302.22990 |
| 3 | 407.19251 | 389.18195 | 390.16596 | 424.21906 | 356.27685 | 339.25030 | 373.30340 |
| 4 | 464.25036 | 446.23980 | 447.22381 | 637.37802 | 470.31978 | 453.29323 | 487.34633 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 637.37802 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 319.19265 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | T. clavipes | 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 |
|---|
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |