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2,4-(OH)₂-PhAcAsn4Orn(NMe₂)

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / P. bistriata
Synonym—
Molecular formulaC₂₃H₃₈N₆O₆
CAS—
SMILESO=C(NC(CC(N)=O)C(NCCCCNC(C(N)CCCN(C)C)=O)=O)CC1=CC=C(O)C=C1O
InChIInChI=1S/C23H38N6O6/c1-29(2)11-5-6-17(24)22(34)26-9-3-4-10-27-23(35)18(14-20(25)32)28-21(33)12-15-7-8-16(30)13-19(15)31/h7-8,13,17-18,30-31H,3-6,9-12,14,24H2,1-2H3,(H2,25,32)(H,26,34)(H,27,35)(H,28,33)
Precursor 1 [M+H]⁺495.29256
Precursor 2 [M+2H]²⁺248.14992
Precursor 3
HDX9
Precursor HDX [M(D₉)+D]⁺505.35533
Precursor HDX 2 [M(D₉)+2D]²⁺253.68444
Precursor HDX 3
Rt4.79
Rt HDX3.87

Calculated MS/MS fragments

#abctazytz
1265.08190247.07133248.05535282.10845143.11789126.09134160.14444
2336.15540318.14483319.12885353.18195214.19139197.16484231.21794
3450.23471432.22415433.20816495.29256328.23432311.20777345.26087

Additional MS/MS fragments

m/zAnnotation
123.04406a’

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data495.29256P. 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

Spider species

Spider speciesFamilyDiscovered
Parawixia bistriataAraneidae2020 / Y. M. Forster

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