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IndLacAsn3(Me)43

General Description

NameValue
LevelS-3 / C-1
Discovered2009 / L. patagiatus
SynonymLF 517A
Molecular formulaC₂₆H₄₃N₇O₄
CAS—
SMILESO=C(NC(CC(N)=O)C(NCCCN(C)CCCCNCCCN)=O)C(O)CC1=CNC2=C1C=CC=C2
InChIInChI=1S/C26H43N7O4/c1-33(14-5-4-11-29-12-6-10-27)15-7-13-30-25(36)22(17-24(28)35)32-26(37)23(34)16-19-18-31-21-9-3-2-8-20(19)21/h2-3,8-9,18,22-23,29,31,34H,4-7,10-17,27H2,1H3,(H2,28,35)(H,30,36)(H,32,37)
Precursor 1 [M+H]⁺518.34493
Precursor 2 [M+2H]²⁺259.67610
Precursor 3
HDX9
Precursor HDX 1 [M(D₉)+D]⁺528.40770
Precursor HDX 2 [M(D₉)+2D]²⁺265.21063
Precursor HDX 3
Rt8.11
Rt HDX6.77

Calculated MS/MS fragments

#abctazytz
1302.11353284.10297285.08698319.1400858.0651341.0385875.09167
2359.17138341.16082342.14483390.21358129.13862112.11208160.18082
3444.26053426.24997427.23398461.28708200.21212183.18558217.23867
4501.31838483.30782484.29183518.34493314.25505297.22850331.28160

Additional MS/MS fragments

m/zAnnotation
130.06513“indol”
160.07569a’

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data518.34493L. cornutusSpider Pharm, USAY. M. Forster
Data259.67610L. 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 517AnLC-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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