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IndAc3(Me₂)4(Me)3(NMe)⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₂₄H₄₂N₅O⁺
CAS	—
SMILES	`O=C(CC1=CNC2=C1C=CC=C2)NCCC[N+](C)(C)CCCCN(C)CCCNC`
InChI	`InChI=1S/C24H41N5O/c1-25-13-9-16-28(2)15-7-8-17-29(3,4)18-10-14-26-24(30)19-21-20-27-23-12-6-5-11-22(21)23/h5-6,11-12,20,25,27H,7-10,13-19H2,1-4H3/p+1`

Precursor 1 M⁺	416.33839
Precursor 2 [M+H]²⁺	208.67283
Precursor 3 [(M+H)+CF₃CO₂]⁺	530.33125

HDX	3
Precursor HDX M(D₃)⁺	419.35722
Precursor HDX 2 [M(D₃)+D]²⁺	210.68539
Precursor HDX 3 [(M(D₃)+D)+CF₃CO₂]⁺	534.35636

Rt	7.25
Rt HDX	5.94

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	215.11789	197.10732	198.09134	260.17574	72.08078	55.05423	103.12297
2	314.22269	296.21212	297.19614	345.26489	157.16993	140.14338	202.22777
3	385.29619	367.28562	368.26964	416.33839	242.25907	226.24035	259.28562

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	530.33125		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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