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2,5-(OH)₂-Bz5

General Description

Name	Value
Level	S-3 / C-1
Discovered	2009 / P. bistriata
Synonym	DR 238
Molecular formula	C₁₅H₂₁N₂O₃
CAS	1930497-19-0
SMILES	`O=C(NCCCCCN)C1=C(O)C=CC(O)=C1`
InChI	`InChI=1S/C12H18N2O3/c13-6-2-1-3-7-14-12(17)10-8-9(15)4-5-11(10)16/h4-5,8,15-16H,1-3,6-7,13H2,(H,14,17)`

Precursor 1 [M+H]⁺	239.13902
Precursor 2 [M+2H]²⁺	120.07315
Precursor 3

HDX	5
Precursor HDX 1 [M(D₅)+D]⁺	245.17668
Precursor HDX 2 [M(D₅)+2D]²⁺	123.59512
Precursor HDX 3

Rt	10.32
Rt HDX	8.70

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	222.11247	204.10191	205.08592	222.11302	86.09643	69.06988	103.12297

Additional MS/MS fragments

m/z	Annotation
137.02332	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	239.13902		Drassodes sp.1	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	239.13902		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos, BRA	Y. M. Forster
Data	HDX		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos, BRA	Y. M. Forster

References

Title	Reference	Spider	Name	Content	Link
Development of a high-resolution MS-based method for the structural elucidation of polyamine spider toxins	S. Eichenberger, PhD-Thesis, University of Zurich 2009, 1-156	Drassodes sp.	DR 238	nLC-ESI-MS/MS	Link
Elucidation of the structure and synthesis of neuroprotective low molecular mass components of the Parawixia bistriata spider venom	Y. 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., 2020	P. bistriata		ESI-MS/MS	Link
Low molecular mass compounds in spider venom	Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation	div.			Link

Spider species

Spider species	Family	Discovered
Drassodes sp.	Gnaphosidae	2009 / S. Eichenberger
Parawixia bistriata	Araneidae	2020 / Y. M. Forster

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