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2,5-(OH)₂-Bz3(OH)334

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / A. aperta
Synonym—
Molecular formulaC₂₀H₃₇N₅O₄
CAS—
SMILESO=C(NCCCN(O)CCCNCCCNCCCCN)C1=C(O)C=CC(O)=C1
InChIInChI=1S/C20H37N5O4/c21-8-1-2-9-22-10-3-11-23-12-4-14-25(29)15-5-13-24-20(28)18-16-17(26)6-7-19(18)27/h6-7,16,22-23,26-27,29H,1-5,8-15,21H2,(H,24,28)
Precursor 1 [M+H]⁺412.29183
Precursor 2 [M+2H]²⁺206.64955
Precursor 3
HDX8
Precursor HDX 1 [M(D₈)+D]⁺421.34832
Precursor HDX 2 [M(D₈)+2D]²⁺211.68094
Precursor HDX 3
Rt6.43
Rt HDX4.63

Calculated MS/MS fragments

#abctazytz
1194.08117176.07060177.05462227.1026372.0807855.0542389.10732
2267.13393249.12337250.10738284.16048129.13862112.11208146.16517
3324.19178306.18122307.16523341.21833186.19647169.16993219.21794
4395.26528377.25472378.23873412.29183259.24924242.22269276.27579

Additional MS/MS fragments

m/zAnnotation
137.02332a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data412.291832,5-(OH)₂-Bz3(OH)343A. apertaFauna Laboratories Ltd., KAZY. M. Forster
DataHDX2,5-(OH)₂-Bz3(OH)343A. apertaFauna Laboratories Ltd., KAZY. M. Forster
Data412.291832,5-(OH)₂-Bz3(OH)343A. potteriFauna Laboratories Ltd., KAZY. M. Forster
Data206.649552,5-(OH)₂-Bz3(OH)343A. potteriFauna Laboratories Ltd., KAZY. M. Forster
DataHDX2,5-(OH)₂-Bz3(OH)343A. potteriFauna 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
Agelenopsis apertaAgelenidae2020 / Y. M. Forster
Agelenopsis potteriAgelenidae2020 / Y. M. Forster

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