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4-OH-IndAcAsn4ßAla3Arg
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₃₀H₄₉N₁₁O₆ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNC(CCNCCCNC(C(N)CCCNC(N)=N)=O)=O)=O)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C30H49N11O6/c31-20(6-4-13-39-30(33)34)28(46)37-14-5-10-35-15-9-25(44)36-11-1-2-12-38-29(47)22(17-24(32)43)41-26(45)16-19-18-40-21-7-3-8-23(42)27(19)21/h3,7-8,18,20,22,35,40,42H,1-2,4-6,9-17,31H2,(H2,32,43)(H,36,44)(H,37,46)(H,38,47)(H,41,45)(H4,33,34,39) |
| |
| Precursor 1 [M+H]⁺ | 660.39400 |
| Precursor 2 [M+2H]²⁺ | 330.70064 |
| Precursor 3 | |
| |
| HDX | 15 |
| Precursor HDX [M(D₁₅)+D]⁺ | 676.49443 |
| Precursor HDX 2 [M(D₁₅)+2D]²⁺ | 339.25399 |
| Precursor HDX 3 | |
| |
| Rt | 8.52 |
| Rt HDX | 7.23 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 214.16624 | 197.13969 | 231.19279 |
| 2 | 359.17138 | 341.16082 | 342.14483 | 376.19793 | 285.20335 | 268.17680 | 302.22990 |
| 3 | 430.20850 | 412.19793 | 413.18195 | 447.23504 | 356.27685 | 339.25030 | 373.30340 |
| 4 | 487.26634 | 469.25578 | 470.23980 | 660.39400 | 470.31978 | 453.29323 | 487.34633 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 660.39400 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 330.70064 | | 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 |