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PA3334Gu

General Description

Name	Value
Level	S-3 / C-1
Discovered	2002 / P. luctuosa
Synonym	—
Molecular formula	C₁₄H₃₅N₇
CAS	864812-13-5
SMILES	`NCCCNCCCNCCCNCCCCNC(N)=N`
InChI	`InChI=1S/C14H35N7/c15-6-3-8-19-10-5-12-20-11-4-9-18-7-1-2-13-21-14(16)17/h18-20H,1-13,15H2,(H4,16,17,21)`

Precursor 1 [M+H]⁺	302.30267
Precursor 2 [M+2H]²⁺	151.65497
Precursor 3

HDX	9
Precursor HDX 1 [M(D₉)+D]⁺	312.36544
Precursor HDX 2 [M(D₉)+2D]²⁺	157.18950
Precursor HDX 3

Rt	1.10
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	243.25432	225.24376	226.22777	302.30267	285.27612	268.24957	302.30267

Additional MS/MS fragments

m/z	Annotation

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	302.30267		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	302.30267		P. luctuosa	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	151.65497		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
Detection and characterization of natural polyamines by high-performance liquid chromatography-atmospheric pressure chemical ionization (electrospray ionization) mass spectroscopy	S. Chesnov, L. Bigler, M. Hesse, Eur. J. Mass Spectrom. 2002, 8, 1-16	P. luctuosa		APCI-MS/MS	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
Polyamine alkaloids	S. Bienz, P. Bisegger, A. Guggisberg, M. Hesse, Nat. Prod. Rep. 2005, 22, 647-658	P. luctuosa		Review	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
Eratigena agrestis	Agelenidae	2020 / Y. M. Forster
Pireneitega luctuosa	Agelenidae	2002 / S. Chesnov

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