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4-OH-IndAc3(OH)34Gu

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / E. agrestis & P. luctuosa
Synonym—
Molecular formulaC₂₁H₃₅N₇O₃
CAS—
SMILESO=C(NCCCN(O)CCCNCCCCNC(N)=N)CC1=CNC2=C1C(O)=CC=C2
InChIInChI=1S/C21H35N7O3/c22-21(23)26-10-2-1-8-24-9-4-12-28(31)13-5-11-25-19(30)14-16-15-27-17-6-3-7-18(29)20(16)17/h3,6-7,15,24,27,29,31H,1-2,4-5,8-14H2,(H,25,30)(H4,22,23,26)
Precursor 1 [M+H]⁺434.28741
Precursor 2 [M+2H]²⁺217.64735
Precursor 3
HDX9
Precursor HDX [M(D₉)+D]⁺444.35018
Precursor HDX 2 [M(D₉)+2D]²⁺223.18187
Precursor HDX 3
Rt8.92
Rt HDX7.01

Calculated MS/MS fragments

#abctazytz
1231.11280213.10224214.08626264.13427114.1025797.07602131.12912
2304.16557286.15500287.13902321.19212171.16042154.13387204.18189
3375.23907357.22850358.21252434.28741244.21319227.18664261.23974

Additional MS/MS fragments

m/zAnnotation
146.06004a’
174.05495a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data434.28741E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
DataHDXE. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data434.28741P. luctuosaFauna Laboratories Ltd., KAZY. M. Forster
Data217.64735P. 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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