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4-OH-Bz4333Ac
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₂H₃₉N₅O₃ |
| CAS | — |
| SMILES | O=C(NCCCCNCCCNCCCNCCCNC(C)=O)C1=CC=C(O)C=C1 |
| InChI | InChI=1S/C22H39N5O3/c1-19(28)26-18-6-16-25-15-5-14-24-13-4-12-23-11-2-3-17-27-22(30)20-7-9-21(29)10-8-20/h7-10,23-25,29H,2-6,11-18H2,1H3,(H,26,28)(H,27,30) |
| |
| Precursor 1 [M+H]⁺ | 422.31257 |
| Precursor 2 [M+2H]²⁺ | 211.65992 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 429.35650 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 215.68503 |
| Precursor HDX 3 | |
| |
| Rt | 5.35 |
| Rt HDX | 4.27 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 192.10191 | 174.09134 | 175.07536 | 209.12845 | 100.07569 | 83.04914 | 117.10224 |
| 2 | 249.15975 | 231.14919 | 232.13321 | 266.18630 | 157.13354 | 140.10699 | 174.16009 |
| 3 | 306.21760 | 288.20704 | 289.19105 | 323.24415 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 363.27545 | 345.26489 | 346.24890 | 422.31257 | 285.26489 | 268.23834 | 302.29144 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 98.09643 | y2’ |
| 112.11208 | y2’ |
| 121.02841 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 422.31257 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 422.31257 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 422.31257 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |