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Trp3(OH)334Gu

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / E. agrestis
Synonym—
Molecular formulaC₂₅H₄₅N₉O₂
CAS—
SMILESO=C(NCCCN(O)CCCNCCCNCCCCNC(N)=N)C(N)CC1=CNC2=C1C=CC=C2
InChIInChI=1S/C25H45N9O2/c26-22(18-20-19-33-23-9-2-1-8-21(20)23)24(35)31-15-7-17-34(36)16-6-13-30-12-5-11-29-10-3-4-14-32-25(27)28/h1-2,8-9,19,22,29-30,33,36H,3-7,10-18,26H2,(H,31,35)(H4,27,28,32)
Precursor 1 [M+H]⁺504.37690
Precursor 2 [M+2H]²⁺252.69209
Precursor 3
HDX11
Precursor HDX [M(D₁₁)+D]⁺516.45222
Precursor HDX 2 [M(D₁₁)+2D]²⁺259.23289
Precursor HDX 3
Rt7.87
Rt HDX6.18

Calculated MS/MS fragments

#abctazytz
1244.14444226.13387227.11789277.16590114.1025797.07602131.12912
2317.19720299.18664300.17065334.22375171.16042154.13387188.18697
3374.25505356.24449357.22850391.28160228.21827211.19172261.23974
4445.32855427.31799428.30200504.37690301.27104284.24449318.29759

Additional MS/MS fragments

m/zAnnotation
130.06513“indol”
159.09167a’
170.06004c0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data252.69209E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
DataHDXE. agrestisFauna 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

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