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2,5-(OH)₂-Bz33(2,5-(OH)₂-Bz)

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₂₀H₂₅N₃O₆
CAS	—
SMILES	`O=C(C1=C(O)C=CC(O)=C1)NCCCNCCCNC(C2=CC(O)=CC=C2O)=O`
InChI	`InChI=1S/C20H25N3O6/c24-13-3-5-17(26)15(11-13)19(28)22-9-1-7-21-8-2-10-23-20(29)16-12-14(25)4-6-18(16)27/h3-6,11-12,21,24-27H,1-2,7-10H2,(H,22,28)(H,23,29)`

Precursor 1 [M+H]⁺	404.18161
Precursor 2 [M+2H]²⁺	202.59444
Precursor 3

HDX	7
Precursor HDX [M(D₇)+D]⁺	412.23183
Precursor HDX 2 [M(D₇)+2D]²⁺	207.12269
Precursor HDX 3

Rt	18.77
Rt HDX	16.80

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	194.08117	176.07060	177.05462	211.10772	194.08117	177.05462	211.10772
2	251.13902	233.12845	234.11247	404.18161	251.13902	234.11247	268.16557

Additional MS/MS fragments

m/z	Annotation
137.02332	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	404.18161		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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