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2,5-(OH)₂-Bz34

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / P. bistriata
Synonym—
Molecular formulaC₁₄H₂₃N₃O₃
CAS—
SMILESO=C(C1=C(O)C=CC(O)=C1)NCCCNCCCCN
InChIInChI=1S/C14H23N3O3/c15-6-1-2-7-16-8-3-9-17-14(20)12-10-11(18)4-5-13(12)19/h4-5,10,16,18-19H,1-3,6-9,15H2,(H,17,20)
Precursor 1 [M+H]⁺282.18122
Precursor 2 [M+2H]²⁺141.59425
Precursor 3
HDX6
Precursor HDX [M(D₆)+D]⁺289.22516
Precursor HDX 2 [M(D₆)+2D]²⁺145.61935
Precursor HDX 3
Rt5.37
Rt HDX4.10

Calculated MS/MS fragments

#abctazytz
1194.08117176.07060177.05462211.1077272.0807855.0542389.10732
2265.15467247.14410248.12812282.18122129.13862112.11208146.16517

Additional MS/MS fragments

m/zAnnotation
137.02332a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data282.18122L. cornutusSpider Pharm, USAY. M. Forster
DataHDXL. cornutusSpider Pharm, USAY. M. Forster
Data282.18122P. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster
DataHDXP. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster

References

TitleReferenceSpiderNameContentLink
Elucidation of the structure and synthesis of neuroprotective low molecular mass components of the Parawixia bistriata spider venomY. M. Forster, J. L. Green, A. Khatiwada, J. L. Liberato, P. A. Narayana Reddy, J. M. Salvino, S. Bienz, L. Bigler, W. Ferreira dos Santos, A. C. K. Fontana, ACS Chem Neurosci., 2020P. bistriataESI-MS/MSLink
Low molecular mass compounds in spider venomY. M. Forster, S. Bienz, L. Bigler, 2020, in preparationdiv.Link

Spider species

Spider speciesFamilyDiscovered
Larinioides cornutusAraneidae2020 / Y. M. Forster
Parawixia bistriataAraneidae2020 / Y. M. Forster

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