2,4-(OH)₂-PhAcAsn4Lys(Me₂)3Arg⁺

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / P. bistriata
Synonym
Molecular formulaC₃₃H₆₀N₁₁O₇⁺
CAS
SMILESO=C(CC1=CC=C(O)C=C1O)NC(CC(N)=O)C(NCCCCNC(C(N)CCCC[N+](C)(C)CCCNC(C(CCCNC(N)=N)N)=O)=O)=O
InChIInChI=1S/C33H59N11O7/c1-44(2,18-8-16-40-31(50)25(35)10-7-15-42-33(37)38)17-6-3-9-24(34)30(49)39-13-4-5-14-41-32(51)26(21-28(36)47)43-29(48)19-22-11-12-23(45)20-27(22)46/h11-12,20,24-26H,3-10,13-19,21,34-35H2,1-2H3,(H11-,36,37,38,39,40,41,42,43,45,46,47,48,49,50,51)/p+1
Precursor 1 M⁺722.46717
Precursor 2 [M+H]²⁺361.73722
Precursor 3 [(M+H)+CF₃CO₂]⁺836.46003
HDX16
Precursor HDX M(D₁₆)⁺738.5676
Precursor HDX 2 [M(D₁₆)+D]²⁺370.29058
Precursor HDX 3 [(M(D₁₆)+D)+CF₃CO₂]⁺853.56674
Rt4.89
Rt HDX3.69

Calculated MS/MS fragments

#abctazytz
1265.08190247.07133248.05535282.10845214.16624197.13969259.22409
2336.15540318.14483319.12885353.18195370.29250354.27378387.31905
3464.25036446.23980447.22381509.30821441.36600425.34728458.39255
4549.33951531.32894532.31296722.46717555.40893539.39020572.43548

Additional MS/MS fragments

m/zAnnotation
123.04406a’

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data361.73722P. bistriataProf. Dr. Wagner Ferreira dos Santos,Y. M. Forster
Data836.46003P. bistriataProf. Dr. Wagner Ferreira dos Santos,Y. M. Forster
DataHDXP. bistriataProf. Dr. Wagner Ferreira dos Santos,Y. 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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