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4-OH-IndAcAsn533

General Description

NameValue
LevelS-3 / C-1
Discovered2009 / L. patagiatus
SynonymLF 503C
Molecular formulaC₂₅H₄₁N₇O₄
CAS—
SMILESO=C(NC(CC(N)=O)C(NCCCCCNCCCNCCCN)=O)CC1=CNC2=C1C(O)=CC=C2
InChIInChI=1S/C25H41N7O4/c26-9-5-11-29-13-6-12-28-10-2-1-3-14-30-25(36)20(16-22(27)34)32-23(35)15-18-17-31-19-7-4-8-21(33)24(18)19/h4,7-8,17,20,28-29,31,33H,1-3,5-6,9-16,26H2,(H2,27,34)(H,30,36)(H,32,35)
Precursor 1 [M+H]⁺504.32928
Precursor 2 [M+2H]²⁺252.66828
Precursor 3
HDX10
Precursor HDX 1 [M(D₁₀)+D]⁺515.39832
Precursor HDX 2 [M(D₁₀)+2D]²⁺258.70594
Precursor HDX 3
Rt6.85
Rt HDX5.67

Calculated MS/MS fragments

#abctazytz
1288.09788270.08732271.07133305.1244358.0651341.0385875.09167
2373.18703355.17647356.16048390.21358115.1229798.09643132.14952
3430.24488412.23432413.21833447.27143200.21212183.18558217.23867
4487.30273469.29217470.27618504.32928314.25505297.22850331.28160

Additional MS/MS fragments

m/zAnnotation
146.06004a’
174.05495a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data504.32928L. cornutusSpider Pharm, USAY. M. Forster
Data252.66828L. 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 503CnLC-ESI-MS/MS, Amino acid analysisLink

Spider species

Spider speciesFamilyDiscovered
Larinioides cornutusAraneidae2020 / Y. M. Forster
Larinioides patagiatusAraneidae2009 / S. Eichenberger

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