venoMS

Navigation :

TrpAsn3(Me)43

General Description

Name	Value
Level	S-3 / C-1
Discovered	2009 / L. patagiatus
Synonym	LF 516A
Molecular formula	C₂₆H₄₄N₈O₃
CAS	—
SMILES	`O=C(NC(CC(N)=O)C(NCCCN(C)CCCCNCCCN)=O)C(N)CC1=CNC2=C1C=CC=C2`
InChI	`InChI=1S/C26H44N8O3/c1-34(14-5-4-11-30-12-6-10-27)15-7-13-31-26(37)23(17-24(29)35)33-25(36)21(28)16-19-18-32-22-9-3-2-8-20(19)22/h2-3,8-9,18,21,23,30,32H,4-7,10-17,27-28H2,1H3,(H2,29,35)(H,31,37)(H,33,36)`

Precursor 1 [M+H]⁺	517.36091
Precursor 2 [M+2H]²⁺	259.18410
Precursor 3

HDX	10
Precursor HDX 1 [M(D₁₀)+D]⁺	528.42996
Precursor HDX 2 [M(D₁₀)+2D]²⁺	265.22176
Precursor HDX 3

Rt	4.27
Rt HDX	3.34

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	301.12952	283.11895	284.10297	318.15607	58.06513	41.03858	75.09167
2	358.18737	340.17680	341.16082	389.22957	129.13862	112.11208	160.18082
3	443.27652	425.26595	426.24997	460.30306	200.21212	183.18558	217.23867
4	500.33436	482.32380	483.30782	517.36091	314.25505	297.22850	331.28160

Additional MS/MS fragments

m/z	Annotation
130.06513	“indol”
159.09167	a’
170.06004	c0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	517.36091		L. cornutus	Spider Pharm, USA	Y. M. Forster
Data	259.18410		L. cornutus	Spider Pharm, USA	Y. M. Forster
Data	HDX		L. cornutus	Spider Pharm, USA	Y. M. Forster

References

Title	Reference	Spider	Name	Content	Link
Development of a high-resolution MS-based method for the structural elucidation of polyamine spider toxins	S. Eichenberger, PhD-Thesis, University of Zurich 2009, 1-156	L. patagiatus	LF 516A	nLC-ESI-MS/MS, Amino acid analysis	Link
Low molecular mass compounds in spider venom	Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation	div.			Link

Spider species

Spider species	Family	Discovered
Larinioides cornutus	Araneidae	2020 / Y. M. Forster
Larinioides patagiatus	Araneidae	2009 / S. Eichenberger

Comments