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2,4-(OH)₂-PhAcAsn4

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₁₆H₂₄N₄O₅
CAS	—
SMILES	`NCCCCNC(C(CC(N)=O)NC(CC1=CC=C(O)C=C1O)=O)=O`
InChI	`InChI=1S/C16H24N4O5/c17-5-1-2-6-19-16(25)12(9-14(18)23)20-15(24)7-10-3-4-11(21)8-13(10)22/h3-4,8,12,21-22H,1-2,5-7,9,17H2,(H2,18,23)(H,19,25)(H,20,24)`

Precursor 1 [M+H]⁺	353.18195
Precursor 2 [M+2H]²⁺	177.09461
Precursor 3

HDX	8
Precursor HDX [M(D₈)+D]⁺	362.23844
Precursor HDX 2 [M(D₈)+2D]²⁺	182.12600
Precursor HDX 3

Rt	4.59
Rt HDX	3.72

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	265.08190	247.07133	248.05535	282.10845	72.08078	55.05423	89.10732
2	336.15540	318.14483	319.12885	353.18195	186.12370	169.09715	203.15025

Additional MS/MS fragments

m/z	Annotation
123.04406	a’

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	353.18195		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos,	Y. M. Forster
Data	HDX		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos,	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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