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4-OH-IndAcAsn43ßAla4
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₂₈H₄₆N₈O₅ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNCCCNC(CCNCCCCN)=O)=O)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C28H46N8O5/c29-10-1-2-11-32-16-9-25(39)33-15-6-13-31-12-3-4-14-34-28(41)22(18-24(30)38)36-26(40)17-20-19-35-21-7-5-8-23(37)27(20)21/h5,7-8,19,22,31-32,35,37H,1-4,6,9-18,29H2,(H2,30,38)(H,33,39)(H,34,41)(H,36,40) |
| |
| Precursor 1 [M+H]⁺ | 575.36639 |
| Precursor 2 [M+2H]²⁺ | 288.18683 |
| Precursor 3 | |
| |
| HDX | 11 |
| Precursor HDX [M(D₁₁)+D]⁺ | 587.44171 |
| Precursor HDX 2 [M(D₁₁)+2D]²⁺ | 294.72763 |
| Precursor HDX 3 | |
| |
| Rt | 6.40 |
| Rt HDX | 5.25 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 359.17138 | 341.16082 | 342.14483 | 376.19793 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 416.22923 | 398.21867 | 399.20268 | 433.25578 | 200.17574 | 183.14919 | 217.20229 |
| 4 | 487.26634 | 469.25578 | 470.23980 | 504.29289 | 271.24924 | 254.22269 | 288.27579 |
| 5 | 558.33984 | 540.32928 | 541.31329 | 575.36639 | 385.29217 | 368.26562 | 402.31871 |
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 | 575.36639 | | 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 |