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2,5-(OH)₂-Bz43

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₁₄H₂₃N₃O₃
CAS	—
SMILES	`O=C(C1=C(O)C=CC(O)=C1)NCCCCNCCCN`
InChI	`InChI=1S/C14H23N3O3/c15-6-3-8-16-7-1-2-9-17-14(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

HDX	6
Precursor HDX [M(D₆)+D]⁺	289.22516
Precursor HDX 2 [M(D₆)+2D]²⁺	145.61935
Precursor HDX 3

Rt	6.51
Rt HDX	5.06

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	208.09682	190.08626	191.07027	225.12337	58.06513	41.03858	75.09167
2	265.15467	247.14410	248.12812	282.18122	129.13862	112.11208	146.16517

Additional MS/MS fragments

m/z	Annotation
137.02332	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	282.18122		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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