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IndLac4(Me₂)3(Me₂)3²⁺
3(Me2)3.png)
General Description
| Name | Value |
|---|
| Level | S-1 / C-3 |
| Discovered | 2004 / M. gigas |
| Synonym | MG 30 |
| Molecular formula | C₂₅H₄₅N₅O₂²⁺ |
| CAS | 740843-95-2 |
| SMILES | O=C(NCCCC[N+](C)(C)CCC[N+](C)(C)CCCN)C(O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C25H44N5O2/c1-29(2,17-10-18-30(3,4)16-9-13-26)15-8-7-14-27-25(32)24(31)19-21-20-28-23-12-6-5-11-22(21)23/h5-6,11-12,20,24,28,31H,7-10,13-19,26H2,1-4H3/q+1/p+1 |
| |
| Precursor 1 M²⁺ | 223.67811 |
| Precursor 2 [(M+H)+CF₃CO₂]²⁺ | 280.67427 |
| Precursor 3 [(M+H)+2(CF₃CO₂)]⁺ | 674.33194 |
| |
| HDX | 5 |
| Precursor HDX 1 M(D₅)²⁺ | 226.19381 |
| Precursor HDX 2 [(M(D₅)+D)+CF₃CO₂]²⁺ | 283.69310 |
| Precursor HDX 3 [(M(D₅)+D)+2(CF₃CO₂)]⁺ | 680.36960 |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 259.14410 | 241.13354 | 242.11756 | 304.20195 | 58.06513 | 41.03858 | 103.12297 |
| 2 | 344.23325 | 326.22269 | 327.20670 | 389.29110 | 143.15428 | 127.13555 | 188.21212 |
| 3 | 429.32240 | 411.31184 | 412.29585 | 446.34895 | 242.25907 | 227.24818 | 259.28562 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | “indol” |
| 160.07569 | a’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Structure and enantioselective synthesis of polyamine toxin MG30 from the venom of the spider Macrothele gigas | N. Yamaji, M. Horikawa, G. Corzo, H. Naoki, J. Haupt, T. Nakajima, T. Iwashita, Tetrahedron Lett. 2004, 45, 5371-5373 | M. gigas | MG 30 | Synthesis, NMR, ESI-MS/MS, CD, Activity-studies | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Macrothele gigas | Macrothelidae | 2004 / N. Yamaji |