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IndAcAsn43

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / P. bistriata
Synonym—
Molecular formulaC₂₁H₃₂N₆O₃
CAS—
SMILESO=C(CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCNCCCN)=O
InChIInChI=1S/C21H32N6O3/c22-8-5-10-24-9-3-4-11-25-21(30)18(13-19(23)28)27-20(29)12-15-14-26-17-7-2-1-6-16(15)17/h1-2,6-7,14,18,24,26H,3-5,8-13,22H2,(H2,23,28)(H,25,30)(H,27,29)
Precursor 1 [M+H]⁺417.26087
Precursor 2 [M+2H]²⁺209.13407
Precursor 3
HDX8
Precursor HDX [M(D₈)+D]⁺426.31736
Precursor HDX 2 [M(D₈)+2D]²⁺214.16545
Precursor HDX 3
Rt8.53
Rt HDX7.36

Calculated MS/MS fragments

#abctazytz
1272.10297254.09240255.07642289.1295258.0651341.0385875.09167
2343.17647325.16590326.14992360.20302129.13862112.11208146.16517
3400.23432382.22375383.20777417.26087243.18155226.15500260.20810

Additional MS/MS fragments

m/zAnnotation
130.06513a’
158.06004a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data417.26087L. cornutusSpider Pharm, USAY. M. Forster
DataHDXL. cornutusSpider Pharm, USAY. M. Forster
Data417.26087T. clavipesSpider Pharm, USAY. M. Forster
DataHDXT. clavipesSpider Pharm, USAY. M. Forster
Data417.26087P. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster
DataHDXP. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster

References

TitleReferenceSpiderNameContentLink
Elucidation of the structure and synthesis of neuroprotective low molecular mass components of the Parawixia bistriata spider venomY. M. Forster, J. L. Green, A. Khatiwada, J. L. Liberato, P. A. Narayana Reddy, J. M. Salvino, S. Bienz, L. Bigler, W. Ferreira dos Santos, A. C. K. Fontana, ACS Chem Neurosci., 2020P. bistriataESI-MS/MSLink
Low molecular mass compounds in spider venomY. M. Forster, S. Bienz, L. Bigler, 2020, in preparationdiv.Link

Spider species

Spider speciesFamilyDiscovered
Larinioides cornutusAraneidae2020 / Y. M. Forster
Trichonephila clavipesAraneidae2020 / Y. M. Forster
Parawixia bistriataAraneidae2020 / Y. M. Forster

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