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2,5-(OH)₂-Bz3(OH)335(NMe₃)⁺
335(NMe3).png)
335(NMe3)_Aa.png?classes=border)
335(NMe3)_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₄H₄₆N₅O₄⁺ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCNCCCCC[N+](C)(C)C)C1=C(O)C=CC(O)=C1 |
| InChI | InChI=1S/C24H45N5O4/c1-29(2,3)19-6-4-5-12-25-13-7-14-26-15-8-17-28(33)18-9-16-27-24(32)22-20-21(30)10-11-23(22)31/h10-11,20,25-26,33H,4-9,12-19H2,1-3H3,(H2-,27,30,31,32)/p+1 |
| |
| Precursor 1 M⁺ | 468.35443 |
| Precursor 2 [M+H]²⁺ | 234.68085 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 582.34730 |
| |
| HDX | 6 |
| Precursor HDX 1 M(D₆)⁺ | 474.39209 |
| Precursor HDX 2 [M(D₆)+D]²⁺ | 238.20282 |
| Precursor HDX 3 [(M(D₆)+D)+CF₃CO₂]⁺ | 589.39123 |
| |
| Rt | 7.34 |
| Rt HDX | 5.53 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 194.08117 | 176.07060 | 177.05462 | 227.10263 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 267.13393 | 249.12337 | 250.10738 | 284.16048 | 185.20123 | 167.16685 | 203.23560 |
| 3 | 324.19178 | 306.18122 | 307.16523 | 341.21833 | 242.25907 | 223.21688 | 276.28836 |
| 4 | 409.28093 | 391.27037 | 392.25438 | 468.35443 | 315.31184 | 295.26181 | 333.34621 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 86.09643 | tz1-NMe₃ |
| 126.12773 | z2-NMe₃ |
| 137.02332 | a0 |
| 143.15428 | tz2-NMe₃ |
| 154.04987 | ta0 |
| 183.18558 | z3-NMe₃ |
| 216.20704 | tz3-NMe₃ |
| 273.26489 | tz4-NMe₃ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 468.35443 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 234.68085 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 468.35443 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 234.68085 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 468.35443 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 234.68085 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 468.35443 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 234.68085 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |