4-OH-IndAc3334Gu

General Description

NameValue
LevelS-3 / C-1
Discovered2002 / P. luctuosa
SynonymPB 474
Molecular formulaC₂₄H₄₂N₈O₂
CAS
SMILESNC(NCCCCNCCCNCCCNCCCNC(CC1=CNC2=C1C(O)=CC=C2)=O)=N
InChIInChI=1S/C24H42N8O2/c25-24(26)31-15-2-1-9-27-10-4-11-28-12-5-13-29-14-6-16-30-22(34)17-19-18-32-20-7-3-8-21(33)23(19)20/h3,7-8,18,27-29,32-33H,1-2,4-6,9-17H2,(H,30,34)(H4,25,26,31)
Precursor 1 [M+H]⁺475.35035
Precursor 2 [M+2H]²⁺238.17881
Precursor 3
HDX10
Precursor HDX 1 [M(D₁₀)+D]⁺486.41939
Precursor HDX 2 [M(D₁₀)+2D]²⁺244.21647
Precursor HDX 3
Rt7.19
Rt HDX5.69

Calculated MS/MS fragments

#abctazytz
1231.11280213.10224214.08626248.13935114.1025797.07602131.12912
2288.17065270.16009271.14410305.19720171.16042154.13387188.18697
3345.22850327.21794328.20195362.25505228.21827211.19172245.24482
4416.30200398.29144399.27545475.35035285.27612268.24957302.30267

Additional MS/MS fragments

m/zAnnotation
146.06004a’
174.05495a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
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
Detection and characterization of natural polyamines by high-performance liquid chromatography-atmospheric pressure chemical ionization (electrospray ionization) mass spectroscopyS. Chesnov, L. Bigler, M. Hesse, Eur. J. Mass Spectrom. 2002, 8, 1-16P. luctuosaPB 474APCI-MS/MSLink
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 luctuosaAgelenidae2002 / S. Chesnov

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