venoMS

Navigation :

4-OH-IndAc3(Me₂)4(NMe₂)⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₂₁H₃₅N₄O₂⁺
CAS	—
SMILES	`O=C(NCCC[N+](C)(C)CCCCN(C)C)CC1=CNC2=C1C(O)=CC=C2`
InChI	`InChI=1S/C21H34N4O2/c1-24(2)12-5-6-13-25(3,4)14-8-11-22-20(27)15-17-16-23-18-9-7-10-19(26)21(17)18/h7,9-10,16,23H,5-6,8,11-15H2,1-4H3,(H-,22,26,27)/p+1`

Precursor 1 M⁺	375.27545
Precursor 2 [M+H]²⁺	188.14136
Precursor 3

HDX	3
Precursor HDX M(D₃)⁺	378.29428
Precursor HDX 2 [M(D₃)+D]²⁺	190.15392
Precursor HDX 3

Rt	7.38
Rt HDX	6.13

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	231.11280	213.10224	214.08626	276.17065	100.11208	83.08553	145.16993
2	330.21760	312.20704	313.19105	375.27545	185.20123	169.18250	202.22777

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	375.27545		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

Comments