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4-OH-PhAcAsn43

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / P. bistriata
Synonym—
Molecular formulaC₁₉H₃₁N₅O₄
CAS—
SMILESO=C(NC(CC(N)=O)C(NCCCCNCCCN)=O)CC1=CC=C(O)C=C1
InChIInChI=1S/C19H31N5O4/c20-8-3-10-22-9-1-2-11-23-19(28)16(13-17(21)26)24-18(27)12-14-4-6-15(25)7-5-14/h4-7,16,22,25H,1-3,8-13,20H2,(H2,21,26)(H,23,28)(H,24,27)
Precursor 1 [M+H]⁺394.24488
Precursor 2 [M+2H]²⁺197.62608
Precursor 3
HDX8
Precursor HDX [M(D₈)+D]⁺403.30137
Precursor HDX 2 [M(D₈)+2D]²⁺202.65746
Precursor HDX 3
Rt3.47
Rt HDX2.79

Calculated MS/MS fragments

#abctazytz
1249.08698231.07642232.06043266.1135358.0651341.0385875.09167
2320.16048302.14992303.13393337.18703129.13862112.11208146.16517
3377.21833359.20777360.19178394.24488243.18155226.15500260.20810

Additional MS/MS fragments

m/zAnnotation
107.04914a’

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data394.24488L. cornutusSpider Pharm, USAY. M. Forster
DataHDXL. cornutusSpider Pharm, USAY. M. Forster
Data394.24488T. clavipesSpider Pharm, USAY. M. Forster
DataHDXT. clavipesSpider Pharm, USAY. M. Forster
Data394.24488P. 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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