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Ac33334Gu

General Description

Name	Value
Level	S-3 / C-1
Discovered	2005 / P. luctuosa
Synonym	—
Molecular formula	C₁₉H₄₄N₈O
CAS	864812-18-0
SMILES	`CC(NCCCNCCCNCCCNCCCNCCCCNC(N)=N)=O`
InChI	`InChI=1S/C19H44N8O/c1-18(28)26-17-7-15-25-14-6-13-24-12-5-11-23-10-4-9-22-8-2-3-16-27-19(20)21/h22-25H,2-17H2,1H3,(H,26,28)(H4,20,21,27)`

Precursor 1 [M+H]⁺	401.37108
Precursor 2 [M+2H]²⁺	201.18918
Precursor 3

HDX	9
Precursor HDX 1 [M(D₉)+D]⁺	411.43385
Precursor HDX 2 [M(D₉)+2D]²⁺	206.72370
Precursor HDX 3

Rt	1.36
Rt HDX	1.22

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	100.07569	82.06513	83.04914	117.10224	114.10257	97.07602	131.12912
2	157.13354	139.12297	140.10699	174.16009	171.16042	154.13387	188.18697
3	214.19139	196.18082	197.16484	231.21794	228.21827	211.19172	245.24482
4	271.24924	253.23867	254.22269	288.27579	285.27612	268.24957	302.30267
5	342.32274	324.31217	325.29619	401.37108	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	401.37108		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	201.18918		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		E. agrestis	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	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
Pireneitega luctuosa	Agelenidae	2005 / M. Tzouros

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