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IndAc3334Gu
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2013 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₄H₄₂N₈O |
| CAS | 1448806-47-0 |
| SMILES | O=C(NCCCNCCCNCCCNCCCCNC(N)=N)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C24H42N8O/c25-24(26)31-16-4-3-10-27-11-5-12-28-13-6-14-29-15-7-17-30-23(33)18-20-19-32-22-9-2-1-8-21(20)22/h1-2,8-9,19,27-29,32H,3-7,10-18H2,(H,30,33)(H4,25,26,31) |
| |
| Precursor 1 [M+H]⁺ | 459.35543 |
| Precursor 2 [M+2H]²⁺ | 230.18136 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX 1 [M(D₉)+D]⁺ | 469.41820 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 235.71588 |
| Precursor HDX 3 | |
| |
| Rt | 9.10 |
| Rt HDX | 7.51 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 232.14444 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 272.17574 | 254.16517 | 255.14919 | 289.20229 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 329.23359 | 311.22302 | 312.20704 | 346.26014 | 228.21827 | 211.19172 | 245.24482 |
| 4 | 400.30709 | 382.29652 | 383.28054 | 459.35543 | 285.27612 | 268.24957 | 302.30267 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 459.35543 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 230.18136 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 459.35543 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 230.18136 | | 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 |
|---|
| A template approach for the characterization of linear polyamines and derivatives in spider venom | M. Tzouros, S. Chesnov, L. Bigler, S. Bienz, Eur. J. Mass Spectrom. 2013, 19, 57-69 | P. luctuosa | | APCI-MS/MS | 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 |
|---|
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2013 / M. Tzouros |