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4-OH-IndAc3(Me₂)4(Me)3(NMe)⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₂₄H₄₂N₅O₂⁺
CAS	—
SMILES	`O=C(CC1=CNC2=C1C(O)=CC=C2)NCCC[N+](C)(C)CCCCN(C)CCCNC`
InChI	`InChI=1S/C24H41N5O2/c1-25-12-8-15-28(2)14-5-6-16-29(3,4)17-9-13-26-23(31)18-20-19-27-21-10-7-11-22(30)24(20)21/h7,10-11,19,25,27H,5-6,8-9,12-18H2,1-4H3,(H-,26,30,31)/p+1`

Precursor 1 M⁺	432.33330
Precursor 2 [M+H]²⁺	216.67029
Precursor 3 [(M+H)+CF₃CO₂]⁺	546.32617

HDX	4
Precursor HDX M(D₄)⁺	436.35841
Precursor HDX 2 [M(D₄)+D]²⁺	219.18598
Precursor HDX 3 [(M(D₄)+D)+CF₃CO₂]⁺	551.35755

Rt	5.80
Rt HDX	4.64

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	231.11280	213.10224	214.08626	276.17065	72.08078	55.05423	103.12297
2	330.21760	312.20704	313.19105	361.25980	157.16993	140.14338	202.22777
3	401.29110	383.28054	384.26455	432.33330	242.25907	226.24035	259.28562

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	432.33330		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos, BRA	Y. M. Forster
Data	216.67029		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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