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PheAsn4Lys(Me₂)3⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₂₈H₅₁N₈O₄⁺
CAS	—
SMILES	`O=C(C(N)CC1=CC=CC=C1)NC(CC(N)=O)C(NCCCCNC(C(N)CCCC[N+](C)(C)CCCN)=O)=O`
InChI	`InChI=1S/C28H50N8O4/c1-36(2,18-10-14-29)17-9-6-13-22(30)26(38)33-15-7-8-16-34-28(40)24(20-25(32)37)35-27(39)23(31)19-21-11-4-3-5-12-21/h3-5,11-12,22-24H,6-10,13-20,29-31H2,1-2H3,(H4-,32,33,34,35,37,38,39,40)/p+1`

Precursor 1 M⁺	563.40278
Precursor 2 [M+H]²⁺	282.20503
Precursor 3

HDX	11
Precursor HDX M(D₁₁)⁺	574.47182
Precursor HDX 2 [M(D₁₁)+D]²⁺	288.24269
Precursor HDX 3

Rt	4.58
Rt HDX	3.70

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	262.11862	244.10805	245.09207	279.14517	58.06513	41.03858	103.12297
2	333.19212	315.18155	316.16557	350.21867	214.19139	198.17266	231.21794
3	461.28708	443.27652	444.26053	506.34493	285.26489	269.24616	302.29144
4	546.37623	528.36566	529.34968	563.40278	399.30782	383.28909	416.33436

Additional MS/MS fragments

m/z	Annotation
120.08078	a’

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	563.40278		P. bistriata	Spider Pharm, USA	Y. M. Forster
Data	282.20503		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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