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4-OH-IndAc3(OH)3334Gu

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / E. agrestis & P. luctuosa
Synonym—
Molecular formulaC₂₇H₄₉N₉O₃
CAS—
SMILESO=C(CC1=CNC2=C1C(O)=CC=C2)NCCCN(O)CCCNCCCNCCCNCCCCNC(N)=N
InChIInChI=1S/C27H49N9O3/c28-27(29)34-16-2-1-10-30-11-4-12-31-13-5-14-32-15-6-18-36(39)19-7-17-33-25(38)20-22-21-35-23-8-3-9-24(37)26(22)23/h3,8-9,21,30-32,35,37,39H,1-2,4-7,10-20H2,(H,33,38)(H4,28,29,34)
Precursor 1 [M+H]⁺548.40311
Precursor 2 [M+2H]²⁺274.70519
Precursor 3
HDX11
Precursor HDX [M(D₁₁)+D]⁺560.47843
Precursor HDX 2 [M(D₁₁)+2D]²⁺281.24599
Precursor HDX 3
Rt8.46
Rt HDX6.70

Calculated MS/MS fragments

#abctazytz
1231.11280213.10224214.08626264.13427114.1025797.07602131.12912
2304.16557286.15500287.13902321.19212171.16042154.13387188.18697
3361.22342343.21285344.19687378.24997228.21827211.19172245.24482
4418.28127400.27070401.25472435.30782285.27612268.24957318.29759
5489.35477471.34420472.32822548.40311358.32889341.30234375.35543

Additional MS/MS fragments

m/zAnnotation
146.06004a’
174.05495a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data548.40311E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data274.70519E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
DataHDXE. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data548.40311P. luctuosaFauna Laboratories Ltd., KAZY. M. Forster
Data274.70519P. luctuosaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXP. luctuosaFauna Laboratories Ltd., KAZY. M. Forster

References

TitleReferenceSpiderNameContentLink
Low molecular mass compounds in spider venomY. M. Forster, S. Bienz, L. Bigler, 2020, in preparationdiv.Link

Spider species

Spider speciesFamilyDiscovered
Eratigena agrestisAgelenidae2020 / Y. M. Forster
Pireneitega luctuosaAgelenidae2020 / Y. M. Forster

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