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IndAcAsn4Lys(Me₂)3⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₂₉H₄₉N₈O₄⁺
CAS	—
SMILES	`O=C(CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCNC(C(N)CCCC[N+](C)(C)CCCN)=O)=O`
InChI	`InChI=1S/C29H48N8O4/c1-37(2,17-9-13-30)16-8-5-11-23(31)28(40)33-14-6-7-15-34-29(41)25(19-26(32)38)36-27(39)18-21-20-35-24-12-4-3-10-22(21)24/h3-4,10,12,20,23,25,35H,5-9,11,13-19,30-31H2,1-2H3,(H4-,32,33,34,36,38,39,40,41)/p+1`

Precursor 1 M⁺	573.38713
Precursor 2 [M+H]²⁺	287.19720
Precursor 3 [(M+H)+CF₃CO₂]⁺	687.37999

HDX	10
Precursor HDX M(D₁₀)⁺	583.44990
Precursor HDX 2 [M(D₁₀)+D]²⁺	292.73172
Precursor HDX 3 [(M(D₁₀)+D)+CF₃CO₂]⁺	698.44903

Rt	8.72
Rt HDX	7.51

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	272.10297	254.09240	255.07642	289.12952	58.06513	41.03858	103.12297
2	343.17647	325.16590	326.14992	360.20302	214.19139	198.17266	231.21794
3	471.27143	453.26087	454.24488	516.32928	285.26489	269.24616	302.29144
4	556.36058	538.35001	539.33403	573.38713	399.30782	383.28909	416.33436

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	573.38713		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos, BRA	Y. M. Forster
Data	287.19720		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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