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IndAc3(Me₂)4(Me₂)3Arg²⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₃₀H₅₅N₉O₂²⁺
CAS	—
SMILES	`O=C(CC1=CNC2=C1C=CC=C2)NCCC[N+](C)(C)CCCC[N+](C)(C)CCCNC(C(N)CCCNC(N)=N)=O`
InChI	`InChI=1S/C30H53N9O2/c1-38(2,20-10-16-34-28(40)22-24-23-37-27-14-6-5-12-25(24)27)18-7-8-19-39(3,4)21-11-17-35-29(41)26(31)13-9-15-36-30(32)33/h5-6,12,14,23,26,37H,7-11,13,15-22,31H2,1-4H3,(H4-2,32,33,34,35,36,40,41)/p+2`

Precursor 1 M²⁺	286.72339
Precursor 2 [(M+H)+CF₃CO₂]²⁺	343.71955
Precursor 3 [(M+H)+2(CF₃CO₂)]⁺	800.42248

HDX	9
Precursor HDX M(D₉)²⁺	291.25163
Precursor HDX 2 [(M(D₉)+D)+CF₃CO₂]²⁺	348.75093
Precursor HDX 3 [(M(D₉)+D)+2(CF₃CO₂)]⁺	810.48525

Rt	8.07
Rt HDX	6.64

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	215.11789	197.10732	198.09134	260.17574	214.16624	197.13969	259.22409
2	314.22269	296.21212	297.19614	359.28054	313.27104	297.25231	358.32889
3	399.31184	381.30127	382.28529	572.43950	398.36019	383.34929	415.38673

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	286.72339		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos,	Y. M. Forster
Data	343.71955		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos,	Y. M. Forster
Data	800.42248		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos,	Y. M. Forster
Data	HDX		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos,	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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