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4-OH-IndAc3(Me₂)4(Me)3Arg⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₂₉H₅₂N₉O₃⁺
CAS	—
SMILES	`O=C(CC1=CNC2=C1C(O)=CC=C2)NCCC[N+](C)(C)CCCCN(C)CCCNC(C(N)CCCNC(N)=N)=O`
InChI	`InChI=1S/C29H51N9O3/c1-37(17-8-14-34-28(41)23(30)10-7-13-35-29(31)32)16-4-5-18-38(2,3)19-9-15-33-26(40)20-22-21-36-24-11-6-12-25(39)27(22)24/h6,11-12,21,23,36H,4-5,7-10,13-20,30H2,1-3H3,(H6-,31,32,33,34,35,39,40,41)/p+1`

Precursor 1 M⁺	574.41876
Precursor 2 [M+H]²⁺	287.71302
Precursor 3

HDX	10
Precursor HDX M(D₁₀)⁺	584.48153
Precursor HDX 2 [M(D₁₀)+D]²⁺	293.24754
Precursor HDX 3

Rt	7.35
Rt HDX	5.72

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	231.11280	213.10224	214.08626	276.17065	214.16624	197.13969	245.20844
2	330.21760	312.20704	313.19105	361.25980	299.25539	282.22884	344.31324
3	401.29110	383.28054	384.26455	574.41876	384.34454	368.32581	401.37108

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	287.71302		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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