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PA3(OH)334Gu

General Description

Name	Value
Level	S-3 / C-1
Discovered	2005 / P. luctuosa
Synonym	—
Molecular formula	C₁₄H₃₅N₇O
CAS	864812-14-6
SMILES	`NCCCN(O)CCCNCCCNCCCCNC(N)=N`
InChI	`InChI=1S/C14H35N7O/c15-6-3-12-21(22)13-5-10-19-9-4-8-18-7-1-2-11-20-14(16)17/h18-19,22H,1-13,15H2,(H4,16,17,20)`

Precursor 1 [M+H]⁺	318.29759
Precursor 2 [M+2H]²⁺	159.65243
Precursor 3

HDX	9
Precursor HDX 1 [M(D₉)+D]⁺	328.36035
Precursor HDX 2 [M(D₉)+2D]²⁺	165.18695
Precursor HDX 3

Rt	1.17
Rt HDX	1.08

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	58.06513	40.05456	41.03858	91.08659	114.10257	97.07602	131.12912
2	131.11789	113.10732	114.09134	148.14444	171.16042	154.13387	188.18697
3	188.17574	170.16517	171.14919	205.20229	228.21827	211.19172	261.23974
4	259.24924	241.23867	242.22269	318.29759	301.27104	284.24449	318.29759

Additional MS/MS fragments

m/z	Annotation

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	318.29759		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	159.65243		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	318.29759		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	Link

Spider species

Spider species	Family	Discovered
Eratigena agrestis	Agelenidae	2020 / Y. M. Forster
Pireneitega luctuosa	Agelenidae	2005 / M. Tzouros

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