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IndAcAsn533Arg
General Description
| Name | Value |
|---|
| Level | S-4 / S-3 |
| Discovered | ? / ? |
| Synonym | NTPX 643F |
| Molecular formula | C₃₁H₅₃N₁₁O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNCCCNCCCNC(C(N)CCCNC(N)=N)=O)=O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C31H53N11O4/c32-24(10-6-17-40-31(34)35)29(45)38-18-8-15-37-14-7-13-36-12-4-1-5-16-39-30(46)26(20-27(33)43)42-28(44)19-22-21-41-25-11-3-2-9-23(22)25/h2-3,9,11,21,24,26,36-37,41H,1,4-8,10,12-20,32H2,(H2,33,43)(H,38,45)(H,39,46)(H,42,44)(H4,34,35,40) |
| |
| Precursor 1 [M+H]⁺ | 644.43548 |
| Precursor 2 [M+2H]²⁺ | 322.72138 |
| Precursor 3 | |
| |
| HDX | 14 |
| Precursor HDX 1 [M(D₁₄)+D]⁺ | 659.52963 |
| Precursor HDX 2 [M(D₁₄)+2D]²⁺ | 330.77159 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 272.10297 | 254.09240 | 255.07642 | 289.12952 | 214.16624 | 197.13969 | 231.19279 |
| 2 | 357.19212 | 339.18155 | 340.16557 | 374.21867 | 271.22409 | 254.19754 | 288.25064 |
| 3 | 414.24997 | 396.23940 | 397.22342 | 431.27652 | 356.31324 | 339.28669 | 373.33978 |
| 4 | 471.30782 | 453.29725 | 454.28127 | 644.43548 | 470.35616 | 453.32961 | 487.38271 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | ? | NPTX 643F | Review | Link |
| A natural combinatorial chemistry strategy in acylpolyamine toxins from Nephilinae orb-web spiders | M. S. Palma, T. Nakajima, Toxin Rev. 2005, 24, 209-234 | div. | NPTX 643F | LC-MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Nephila clavata | Araneidae | 2005 / M. S. Palma |
| Trichonephila inaurata madagascariensis | Araneidae | M. S. Palma |
| Nephilingis borbonica | Araneidae | M. S. Palma |
| Nephilingis cruentata | Araneidae | M. S. Palma |