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4-OH-Bz3(OH)334Gu

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / E. agrestis & P. luctuosa
Synonym—
Molecular formulaC₂₁H₃₉N₇O₃
CAS—
SMILESO=C(C1=CC=C(O)C=C1)NCCCN(O)CCCNCCCNCCCCNC(N)=N
InChIInChI=1S/C21H39N7O3/c22-21(23)27-14-2-1-10-24-11-3-12-25-13-4-16-28(31)17-5-15-26-20(30)18-6-8-19(29)9-7-18/h6-9,24-25,29,31H,1-5,10-17H2,(H,26,30)(H4,22,23,27)
Precursor 1 [M+H]⁺438.31871
Precursor 2 [M+2H]²⁺219.66300
Precursor 3
HDX9
Precursor HDX [M(D₉)+D]⁺448.38148
Precursor HDX 2 [M(D₉)+2D]²⁺225.19752
Precursor HDX 3
Rt5.51
Rt HDX4.03

Calculated MS/MS fragments

#abctazytz
1178.08626160.07569161.05971211.10772114.1025797.07602131.12912
2251.13902233.12845234.11247268.16557171.16042154.13387188.18697
3308.19687290.18630291.17032325.22342228.21827211.19172261.23974
4379.27037361.25980362.24382438.31871301.27104284.24449318.29759

Additional MS/MS fragments

m/zAnnotation
121.02841a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data438.31871E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data219.66300E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
DataHDXE. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data438.31871P. luctuosaFauna Laboratories Ltd., KAZY. M. Forster
Data219.66300P. 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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