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2,5-(OH)₂-Bz3(OH)3(OH)343

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / H. curta & Hololena sp.
Synonym—
Molecular formulaC₂₃H₄₄N₆O₅
CAS—
SMILESO=C(C1=C(O)C=CC(O)=C1)NCCCN(O)CCCN(O)CCCNCCCCNCCCN
InChIInChI=1S/C23H44N6O5/c24-9-3-12-25-10-1-2-11-26-13-4-15-28(33)17-6-18-29(34)16-5-14-27-23(32)21-19-20(30)7-8-22(21)31/h7-8,19,25-26,30-31,33-34H,1-6,9-18,24H2,(H,27,32)
Precursor 1 [M+H]⁺485.34459
Precursor 2 [M+2H]²⁺243.17594
Precursor 3
HDX9
Precursor HDX [M(D₉)+D]⁺495.40736
Precursor HDX 2 [M(D₉)+2D]²⁺248.71046
Precursor HDX 3
Rt7.59
Rt HDX5.78

Calculated MS/MS fragments

#abctazytz
1194.08117176.07060177.05462227.1026358.0651341.0385875.09167
2267.13393249.12337250.10738300.15540129.13862112.11208146.16517
3340.18670322.17613323.16015357.21325186.19647169.16993219.21794
4411.26020393.24963394.23365428.28675259.24924242.22269292.27070
5468.31805450.30748451.29150485.34459332.30200315.27545349.32855

Additional MS/MS fragments

m/zAnnotation
137.02332a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data485.34459H. curtaFauna Laboratories Ltd., KAZY. M. Forster
Data243.17594H. curtaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXH. curtaFauna Laboratories Ltd., KAZY. M. Forster
Data485.34459Hololena sp.Spider Pharm, USAY. M. Forster
Data243.17594Hololena 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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