☰
Navigation :

OH-OMe-Bz3(OH)334Gu

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / E. agrestis & P. luctuosa
Synonym—
Molecular formulaC₂₂H₄₁N₇O₄
CAS—
SMILESO=C(NCCCN(O)CCCNCCCNCCCCNC(N)=N)C1=CC=CC=C1.CO.OC
InChIInChI=1S/C21H39N7O2.C2H6O.CH4O/c22-21(23)27-15-5-4-11-24-12-6-13-25-14-7-17-28(30)18-8-16-26-20(29)19-9-2-1-3-10-19;1-3-2;1-2/h1-3,9-10,24-25,30H,4-8,11-18H2,(H,26,29)(H4,22,23,27);1-2H3;2H,1H3
Precursor 1 [M+H]⁺468.32928
Precursor 2 [M+2H]²⁺234.66828
Precursor 3
HDX9
Precursor HDX [M(D₉)+D]⁺478.39205
Precursor HDX 2 [M(D₉)+2D]²⁺240.20280
Precursor HDX 3
Rt6.97
Rt HDX5.39

Calculated MS/MS fragments

#abctazytz
1208.09682190.08626191.07027241.11828114.1025797.07602131.12912
2281.14958263.13902264.12303298.17613171.16042154.13387188.18697
3338.20743320.19687321.18088355.23398228.21827211.19172261.23974
4409.28093391.27037392.25438468.32928301.27104284.24449318.29759

Additional MS/MS fragments

m/zAnnotation
151.03897a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data468.32928E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data234.66828E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
DataHDXE. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data468.32928P. 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

Comments