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4-OH-PhAcAsn4

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₁₆H₂₄N₄O₄
CAS	—
SMILES	`O=C(NC(CC(N)=O)C(NCCCCN)=O)CC1=CC=C(O)C=C1`
InChI	`InChI=1S/C16H24N4O4/c17-7-1-2-8-19-16(24)13(10-14(18)22)20-15(23)9-11-3-5-12(21)6-4-11/h3-6,13,21H,1-2,7-10,17H2,(H2,18,22)(H,19,24)(H,20,23)`

Precursor 1 [M+H]⁺	337.18703
Precursor 2 [M+2H]²⁺	169.09715
Precursor 3

HDX	7
Precursor HDX [M(D₇)+D]⁺	345.23725
Precursor HDX 2 [M(D₇)+2D]²⁺	173.62540
Precursor HDX 3

Rt	4.14
Rt HDX	3.52

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	249.08698	231.07642	232.06043	266.11353	72.08078	55.05423	89.10732
2	320.16048	302.14992	303.13393	337.18703	186.12370	169.09715	203.15025

Additional MS/MS fragments

m/z	Annotation
107.04914	a’

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	337.18703		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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