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IndAc3(OH)334Gu

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / A. aperta
Synonym—
Molecular formulaC₂₄H₄₂N₈O₂
CAS—
SMILESO=C(CC1=CNC2=C1C=CC=C2)NCCCN(O)CCCNCCCNCCCCNC(N)=N
InChIInChI=1S/C24H42N8O2/c25-24(26)30-14-4-3-10-27-11-5-12-28-13-6-16-32(34)17-7-15-29-23(33)18-20-19-31-22-9-2-1-8-21(20)22/h1-2,8-9,19,27-28,31,34H,3-7,10-18H2,(H,29,33)(H4,25,26,30)
Precursor 1 [M+H]⁺475.35035
Precursor 2 [M+2H]²⁺238.17881
Precursor 3
HDX9
Precursor HDX 1 [M(D₉)+D]⁺485.41312
Precursor HDX 2 [M(D₉)+2D]²⁺243.71333
Precursor HDX 3
Rt10.56
Rt HDX8.74

Calculated MS/MS fragments

#abctazytz
1215.11789197.10732198.09134248.13935114.1025797.07602131.12912
2288.17065270.16009271.14410305.19720171.16042154.13387188.18697
3345.22850327.21794328.20195362.25505228.21827211.19172261.23974
4416.30200398.29144399.27545475.35035301.27104284.24449318.29759

Additional MS/MS fragments

m/zAnnotation
72.08078tz1-Gu
98.09643y2’
112.11208z2-Gu
130.06513a’
169.16993z3-Gu

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data475.35035A. apertaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXA. apertaFauna Laboratories Ltd., KAZY. M. Forster
Data475.35035E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data238.17881E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
DataHDXE. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data475.35035P. luctuosaFauna Laboratories Ltd., KAZY. M. Forster
Data238.17881P. 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
Agelenopsis apertaAgelenidae2020 / Y. M. Forster
Eratigena agrestisAgelenidae2020 / Y. M. Forster
Pireneitega luctuosaAgelenidae2020 / Y. M. Forster

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