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4-OH-IndAcAsn4Lys(Me₂)3Arg⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₃₅H₆₁N₁₂O₆⁺
CAS	—
SMILES	`O=C(NC(CC(N)=O)C(NCCCCNC(C(N)CCCC[N+](C)(C)CCCNC(C(N)CCCNC(N)=N)=O)=O)=O)CC1=CNC2=C1C(O)=CC=C2`
InChI	`InChI=1S/C35H60N12O6/c1-47(2,19-9-17-42-33(52)25(37)11-8-16-44-35(39)40)18-6-3-10-24(36)32(51)41-14-4-5-15-43-34(53)27(21-29(38)49)46-30(50)20-23-22-45-26-12-7-13-28(48)31(23)26/h7,12-13,22,24-25,27,45H,3-6,8-11,14-21,36-37H2,1-2H3,(H10-,38,39,40,41,42,43,44,46,48,49,50,51,52,53)/p+1`

Precursor 1 M⁺	745.48315
Precursor 2 [M+H]²⁺	373.24522
Precursor 3 [(M+H)+CF₃CO₂]⁺	859.47602

HDX	16
Precursor HDX M(D₁₆)⁺	761.58358
Precursor HDX 2 [M(D₁₆)+D]²⁺	381.79857
Precursor HDX 3 [(M(D₁₆)+D)+CF₃CO₂]⁺	876.58272

Rt	7.35
Rt HDX	5.92

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	288.09788	270.08732	271.07133	305.12443	214.16624	197.13969	259.22409
2	359.17138	341.16082	342.14483	376.19793	370.29250	354.27378	387.31905
3	487.26634	469.25578	470.23980	532.32419	441.36600	425.34728	458.39255
4	572.35549	554.34493	555.32894	745.48315	555.40893	539.39020	572.43548

Additional MS/MS fragments

m/z	Annotation
146.06004	a’
174.05495	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	373.24522		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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