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4-OH-IndAcAsn53

General Description

NameValue
LevelS-3 / C-1
Discovered2009 / L. patagiatus
SynonymLF 446F
Molecular formulaC₂₂H₃₄N₆O₄
CAS
SMILESO=C(NC(CC(N)=O)C(NCCCCCNCCCN)=O)CC1=CNC2=C1C(O)=CC=C2
InChIInChI=1S/C22H34N6O4/c23-8-5-10-25-9-2-1-3-11-26-22(32)17(13-19(24)30)28-20(31)12-15-14-27-16-6-4-7-18(29)21(15)16/h4,6-7,14,17,25,27,29H,1-3,5,8-13,23H2,(H2,24,30)(H,26,32)(H,28,31)
Precursor 1 [M+H]⁺447.27143
Precursor 2 [M+2H]²⁺224.13935
Precursor 3
HDX9
Precursor HDX 1 [M(D₉)+D]⁺457.33420
Precursor HDX 2 [M(D₉)+2D]²⁺229.67388
Precursor HDX 3
Rt7.23
Rt HDX6.11

Calculated MS/MS fragments

#abctazytz
1288.09788270.08732271.07133305.1244358.0651341.0385875.09167
2373.18703355.17647356.16048390.21358143.15428126.12773160.18082
3430.24488412.23432413.21833447.27143257.19720240.17065274.22375

Additional MS/MS fragments

m/zAnnotation
146.06004a’
174.05495a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data447.27143L. cornutusSpider Pharm, USAY. M. Forster
Data224.13935L. cornutusSpider Pharm, USAY. M. Forster
DataHDXL. cornutusSpider Pharm, USAY. M. Forster
Data447.27143T. clavipesSpider Pharm, USAY. M. Forster
DataHDXT. clavipesSpider 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 446FnLC-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
Trichonephila clavipesAraneidae2020 / Y. M. Forster

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