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4-OH-IndAc3(OH)335

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / Hololena sp. & P. luctuosa
Synonym—
Molecular formulaC₂₄H₄₂N₆O₃
CAS—
SMILESO=C(CC1=CNC2=C1C(O)=CC=C2)NCCCN(O)CCCNCCCNCCCCCN
InChIInChI=1S/C24H42N6O3/c25-10-2-1-3-11-26-12-5-13-27-14-6-16-30(33)17-7-15-28-23(32)18-20-19-29-21-8-4-9-22(31)24(20)21/h4,8-9,19,26-27,29,31,33H,1-3,5-7,10-18,25H2,(H,28,32)
Precursor 1 [M+H]⁺463.33912
Precursor 2 [M+2H]²⁺232.17320
Precursor 3
HDX8
Precursor HDX [M(D₈)+D]⁺472.39561
Precursor HDX 2 [M(D₈)+2D]²⁺237.20458
Precursor HDX 3
Rt7.54
Rt HDX5.77

Calculated MS/MS fragments

#abctazytz
1231.11280213.10224214.08626264.1342786.0964369.06988103.12297
2304.16557286.15500287.13902321.19212143.15428126.12773160.18082
3361.22342343.21285344.19687378.24997200.21212183.18558233.23359
4446.31257428.30200429.28602463.33912273.26489256.23834290.29144

Additional MS/MS fragments

m/zAnnotation
146.06004a’
174.05495a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data463.33912Hololena sp.Spider Pharm, USAY. M. Forster
DataHDXHololena sp.Spider Pharm, USAY. M. Forster
Data463.33912P. luctuosaFauna Laboratories Ltd., KAZY. M. Forster
Data232.17320P. 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
Hololena sp.Agelenidae2020 / Y. M. Forster
Pireneitega luctuosaAgelenidae2020 / Y. M. Forster

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