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PA33334Gu

General Description

Name	Value
Level	S-3 / C-1
Discovered	2005 / P. luctuosa
Synonym	—
Molecular formula	C₁₇H₄₂N₈
CAS	864812-20-4
SMILES	`NC(NCCCCNCCCNCCCNCCCNCCCN)=N`
InChI	`InChI=1S/C17H42N8/c18-7-3-9-22-11-5-13-24-15-6-14-23-12-4-10-21-8-1-2-16-25-17(19)20/h21-24H,1-16,18H2,(H4,19,20,25)`

Precursor 1 [M+H]⁺	359.36052
Precursor 2 [M+2H]²⁺	180.18390
Precursor 3

HDX	10
Precursor HDX 1 [M(D₁₀)+D]⁺	370.42956
Precursor HDX 2 [M(D₁₀)+2D]²⁺	186.22156
Precursor HDX 3

Rt	1.11
Rt HDX	1.06

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	58.06513	40.05456	41.03858	75.09167	114.10257	97.07602	131.12912
2	115.12297	97.11241	98.09643	132.14952	171.16042	154.13387	188.18697
3	172.18082	154.17026	155.15428	189.20737	228.21827	211.19172	245.24482
4	229.23867	211.22811	212.21212	246.26522	285.27612	268.24957	302.30267
5	300.31217	282.30161	283.28562	359.36052	342.33397	325.30742	359.36052

Additional MS/MS fragments

m/z	Annotation

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	359.36052		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	359.36052		P. luctuosa	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		P. luctuosa	Fauna Laboratories Ltd., KAZ	Y. M. Forster

References

Title	Reference	Spider	Name	Content	Link
New linear polyamine derivatives in spider venoms	M. Tzouros, S. Chesnov, S. Bienz, M. Hesse, L. Bigler, Toxicon 2005, 46, 350-354	P. luctuosa		APCI-MS/MS (ns)	Link
A template approach for the characterization of linear polyamines and derivatives in spider venom	M. Tzouros, S. Chesnov, L. Bigler, S. Bienz, Eur. J. Mass Spectrom. 2013, 19, 57-69	P. luctuosa		APCI-MS/MS (ns)	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
Eratigena agrestis	Agelenidae	2020 / Y. M. Forster
Pireneitega luctuosa	Agelenidae	2005 / M. Tzouros

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