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PheAsn4Lys(Me₂)3Arg⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₃₄H₆₃N₁₂O₅⁺
CAS	—
SMILES	`O=C(C(N)CC1=CC=CC=C1)NC(CC(N)=O)C(NCCCCNC(C(N)CCCC[N+](C)(C)CCCNC(C(CCCNC(N)=N)N)=O)=O)=O`
InChI	`InChI=1S/C34H62N12O5/c1-46(2,21-11-19-42-31(49)26(36)15-10-18-44-34(39)40)20-9-6-14-25(35)30(48)41-16-7-8-17-43-33(51)28(23-29(38)47)45-32(50)27(37)22-24-12-4-3-5-13-24/h3-5,12-13,25-28H,6-11,14-23,35-37H2,1-2H3,(H9-,38,39,40,41,42,43,44,45,47,48,49,50,51)/p+1`

Precursor 1 M⁺	719.50389
Precursor 2 [M+H]²⁺	360.25558
Precursor 3

HDX	16
Precursor HDX M(D₁₆)⁺	735.60432
Precursor HDX 2 [M(D₁₆)+D]²⁺	368.80894
Precursor HDX 3

Rt	5.92
Rt HDX	4.74

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	262.11862	244.10805	245.09207	279.14517	214.16624	197.13969	259.22409
2	333.19212	315.18155	316.16557	350.21867	370.29250	354.27378	387.31905
3	461.28708	443.27652	444.26053	506.34493	441.36600	425.34728	458.39255
4	546.37623	528.36566	529.34968	719.50389	555.40893	539.39020	572.43548

Additional MS/MS fragments

m/z	Annotation
120.08078	a’

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	360.25558		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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