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PA3(OH)3343

General Description

Name	Value
Level	S-3 / C-1
Discovered	2005 / A. aperta & H. curta
Synonym	—
Molecular formula	C₁₆H₄₀N₆O
CAS	864812-16-8
SMILES	`NCCCN(O)CCCNCCCNCCCCNCCCN`
InChI	`InChI=1S/C16H40N6O/c17-7-3-11-19-9-1-2-10-20-12-5-13-21-14-6-16-22(23)15-4-8-18/h19-21,23H,1-18H2`

Precursor 1 [M+H]⁺	333.33364
Precursor 2 [M+2H]²⁺	167.17046
Precursor 3

HDX	8
Precursor HDX 1 [M(D₈)+D]⁺	342.39013
Precursor HDX 2 [M(D₈)+2D]²⁺	172.20184
Precursor HDX 3

Rt	1.08
Rt HDX	1.05

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	58.06513	40.05456	41.03858	91.08659	58.06513	41.03858	75.09167
2	131.11789	113.10732	114.09134	148.14444	129.13862	112.11208	146.16517
3	188.17574	170.16517	171.14919	205.20229	186.19647	169.16993	203.22302
4	259.24924	241.23867	242.22269	276.27579	243.25432	226.22777	276.27579
5	316.30709	298.29652	299.28054	333.33364	316.30709	299.28054	333.33364

Additional MS/MS fragments

m/z	Annotation

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	333.33364		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. potteri	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	A. aperta & H. curta		APCI-MS/MS (ns)	Link
A template approach for the characterization of linear polyamines and derivatives in spider venom	Manuel Tzouros, Sergiy Chesnov, Laurent Bigler, Stefan Bienz, Eur. J. Mass Spectrom. 2013, 19, 57-69	A. aperta & H. curta		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
Agelenopsis aperta	Agelenidae	2005 / M. Tzouros
Agelenopsis potteri	Agelenidae	2020 / Y. M. Forster
Hololena curta	Agelenidae	2005 / M. Tzouros

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