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4-OH-IndAc5(OH)3333
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₇H₄₉N₇O₃ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NCCCCCN(O)CCCNCCCNCCCNCCCN |
| InChI | InChI=1S/C27H49N7O3/c28-11-5-12-29-13-6-14-30-15-7-16-31-17-8-20-34(37)19-3-1-2-18-32-26(36)21-23-22-33-24-9-4-10-25(35)27(23)24/h4,9-10,22,29-31,33,35,37H,1-3,5-8,11-21,28H2,(H,32,36) |
| |
| Precursor 1 [M+H]⁺ | 520.39696 |
| Precursor 2 [M+2H]²⁺ | 260.70212 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX [M(D₉)+D]⁺ | 530.45973 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 266.23664 |
| Precursor HDX 3 | |
| |
| Rt | 10.16 |
| Rt HDX | 8.32 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 259.14410 | 241.13354 | 242.11756 | 292.16557 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 332.19687 | 314.18630 | 315.17032 | 349.22342 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 389.25472 | 371.24415 | 372.22817 | 406.28127 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 446.31257 | 428.30200 | 429.28602 | 463.33912 | 229.23867 | 212.21212 | 262.26014 |
| 5 | 503.37042 | 485.35985 | 486.34387 | 520.39696 | 330.32274 | 313.29619 | 347.34929 |
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 | 520.39696 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | Fauna Laboratories Ltd., KAZ | 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 |
|---|
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |