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IndAcAsn4Lys(Me₂)3Arg⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₃₅H₆₁N₁₂O₅⁺
CAS	—
SMILES	`O=C(CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCNC(C(N)CCCC[N+](C)(C)CCCNC(C(CCCNC(N)=N)N)=O)=O)=O`
InChI	`InChI=1S/C35H60N12O5/c1-47(2,20-10-18-42-33(51)27(37)13-9-17-44-35(39)40)19-8-5-12-26(36)32(50)41-15-6-7-16-43-34(52)29(22-30(38)48)46-31(49)21-24-23-45-28-14-4-3-11-25(24)28/h3-4,11,14,23,26-27,29,45H,5-10,12-13,15-22,36-37H2,1-2H3,(H9-,38,39,40,41,42,43,44,46,48,49,50,51,52)/p+1`

Precursor 1 M⁺	729.48824
Precursor 2 [M+H]²⁺	365.24776
Precursor 3 [(M+H)+CF₃CO₂]⁺	843.48110

HDX	15
Precursor HDX M(D₁₅)⁺	744.58239
Precursor HDX 2 [M(D₁₅)+D]²⁺	373.29797
Precursor HDX 3 [(M(D₁₅)+D)+CF₃CO₂]⁺	859.58153

Rt	9.42
Rt HDX	7.95

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	272.10297	254.09240	255.07642	289.12952	214.16624	197.13969	259.22409
2	343.17647	325.16590	326.14992	360.20302	370.29250	354.27378	387.31905
3	471.27143	453.26087	454.24488	516.32928	441.36600	425.34728	458.39255
4	556.36058	538.35001	539.33403	729.48824	555.40893	539.39020	572.43548

Additional MS/MS fragments

m/z	Annotation
130.06513	a’
158.06004	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	365.24776		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos, BRA	Y. M. Forster
Data	843.48110		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos, BRA	Y. M. Forster
Data	HDX		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos, BRA	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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