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IndAc4(OH)3(OH)333

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / H. curta & Hololena sp.
Synonym—
Molecular formulaC₂₆H₄₇N₇O₃
CAS—
SMILESO=C(NCCCCN(O)CCCN(O)CCCNCCCNCCCN)CC1=CNC2=C1C=CC=C2
InChIInChI=1S/C26H47N7O3/c27-11-5-12-28-13-6-14-29-15-7-18-33(36)20-8-19-32(35)17-4-3-16-30-26(34)21-23-22-31-25-10-2-1-9-24(23)25/h1-2,9-10,22,28-29,31,35-36H,3-8,11-21,27H2,(H,30,34)
Precursor 1 [M+H]⁺506.38131
Precursor 2 [M+2H]²⁺253.69430
Precursor 3
HDX8
Precursor HDX 1 [M(D₈)+D]⁺515.43781
Precursor HDX 2 [M(D₈)+2D]²⁺258.72568
Precursor HDX 3
Rt11.32
Rt HDX9.60

Calculated MS/MS fragments

#abctazytz
1229.13354211.12297212.10699262.1550058.0651341.0385875.09167
2302.18630284.17574285.15975335.20777115.1229798.09643132.14952
3375.23907357.22850358.21252392.26562172.18082155.15428205.20229
4432.29692414.28635415.27037449.32347245.23359228.20704278.25505
5489.35477471.34420472.32822506.38131332.30200315.27545349.32855

Additional MS/MS fragments

m/zAnnotation
130.06513a’
158.06004a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data506.38131H. curtaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXH. curtaFauna Laboratories Ltd., KAZY. M. Forster
Data506.38131Hololena sp.Spider Pharm, USAY. M. Forster
Data253.69430Hololena sp.Spider Pharm, USAY. M. Forster
DataHDXHololena sp.Spider Pharm, USAY. 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 curtaAgelenidae2020 / Y. M. Forster
Hololena sp.Agelenidae2020 / Y. M. Forster

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