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2,4-(OH)₂-PhAcAsn3(Me)43

General Description

NameValue
LevelS-3 / C-1
Discovered2009 / L. patagiatus
SynonymLF 480A
Molecular formulaC₂₃H₄₀N₆O₅
CAS—
SMILESO=C(NC(CC(N)=O)C(NCCCN(C)CCCCNCCCN)=O)CC1=CC=C(O)C=C1O
InChIInChI=1S/C23H40N6O5/c1-29(12-3-2-9-26-10-4-8-24)13-5-11-27-23(34)19(16-21(25)32)28-22(33)14-17-6-7-18(30)15-20(17)31/h6-7,15,19,26,30-31H,2-5,8-14,16,24H2,1H3,(H2,25,32)(H,27,34)(H,28,33)
Precursor 1 [M+H]⁺481.31329
Precursor 2 [M+2H]²⁺241.16029
Precursor 3
HDX9
Precursor HDX 1 [M(D₉)+D]⁺491.37606
Precursor HDX 2 [M(D₉)+2D]²⁺246.69481
Precursor HDX 3
Rt3.01
Rt HDX2.33

Calculated MS/MS fragments

#abctazytz
1265.08190247.07133248.05535282.1084558.0651341.0385875.09167
2322.13975304.12918305.11320353.18195129.13862112.11208160.18082
3407.22890389.21833390.20235424.25545200.21212183.18558217.23867
4464.28675446.27618447.26020481.31329314.25505297.22850331.28160

Additional MS/MS fragments

m/zAnnotation
123.04406a’

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data481.31329L. cornutusSpider Pharm, USAY. M. Forster
Data241.16029L. cornutusSpider Pharm, USAY. M. Forster
DataHDXL. cornutusSpider Pharm, USAY. M. Forster

References

TitleReferenceSpiderNameContentLink
Development of a high-resolution MS-based method for the structural elucidation of polyamine spider toxinsS. Eichenberger, PhD-Thesis, University of Zurich 2009, 1-156L. patagiatusLF 480AnLC-ESI-MS/MS, Amino acid analysisLink
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
Larinioides patagiatusAraneidae2009 / S. Eichenberger

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