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2,5-(OH)₂-Bz4

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₁₁H₁₆N₂O₃
CAS	—
SMILES	`NCCCCNC(C1=C(O)C=CC(O)=C1)=O`
InChI	`InChI=1S/C11H16N2O3/c12-5-1-2-6-13-11(16)9-7-8(14)3-4-10(9)15/h3-4,7,14-15H,1-2,5-6,12H2,(H,13,16)`

Precursor 1 [M+H]⁺	225.12337
Precursor 2 [M+2H]²⁺	113.06532
Precursor 3

HDX	5
Precursor HDX [M(D₅)+D]⁺	231.16103
Precursor HDX 2 [M(D₅)+2D]²⁺	116.58729
Precursor HDX 3

Rt	7.79
Rt HDX	6.30

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	208.09682	190.08626	191.07027	208.09737	72.08078	55.05423	89.10732

Additional MS/MS fragments

m/z	Annotation
137.02332	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	225.12337		P. bistriata	Spider Pharm, USA	Y. M. Forster
Data	HDX		P. bistriata	Spider Pharm, USA	Y. M. Forster

References

Title	Reference	Spider	Name	Content	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

Spider species

Spider species	Family	Discovered
Parawixia bistriata	Araneidae	2020 / Y. M. Forster

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