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PA33334

General Description

Name	Value
Level	S-3 / C-3
Discovered	2005 / A. aperta & H. curta
Synonym	Homocaldohexamine
Molecular formula	C₁₆H₄₀N₆
CAS	143085-73-8
SMILES	`NCCCNCCCNCCCNCCCNCCCCN`
InChI	`InChI=1S/C16H40N6/c17-7-1-2-9-19-11-4-13-21-15-6-16-22-14-5-12-20-10-3-8-18/h19-22H,1-18H2`

Precursor 1 [M+H]⁺	317.33872
Precursor 2 [M+2H]²⁺	159.17300
Precursor 3

HDX	8
Precursor HDX 1 [M(D₈)+D]⁺	326.39521
Precursor HDX 2 [M(D₈)+2D]²⁺	164.20438
Precursor HDX 3

Rt
Rt HDX

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	58.06513	40.05456	41.03858	75.09167	72.08078	55.05423	89.10732
2	115.12297	97.11241	98.09643	132.14952	129.13862	112.11208	146.16517
3	172.18082	154.17026	155.15428	189.20737	186.19647	169.16993	203.22302
4	229.23867	211.22811	212.21212	246.26522	243.25432	226.22777	260.28087
5	300.31217	282.30161	283.28562	317.33872	300.31217	283.28562	317.33872

Additional MS/MS fragments

m/z	Annotation

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author

References

Title	Reference	Spider	Name	Content	Link
Novel linear and branched polyamines in the extremely thermophilic eubacteria Thermoleophilum, Bacillus and Hydrogenobacter	K. Hamana, M. Niitsu, S. Matsuzaki, K. Samejima, Y. Igarashi, T. Kodama, Biochem. J. 1992, 284, 741-747	—		HPLC, GC	Link
Polyamine analysis for chemotaxonomy of thermophilic eubacteria: Polyamine distribution profiles within the orders Aquificales, Thermotogales, Thermodesulfobacteriales, Thermales, Thermoanaerobacteriales, Clostridiales and Bacillales	R. Hosoya, K. Hamana, M. Niitsu, T. Itho, J. Gen. Appl. Microbiol. 2004, 50, 271-287	—		HPLC, GC	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	M. Tzouros, S. Chesnov, L. Bigler, S. Bienz, Eur. J. Mass Spectrom. 2013, 19, 57-69	A. aperta & H. curta		APCI-MS/MS	Link

Spider species

Spider species	Family	Discovered
Agelenopsis aperta	Agelenidae	2005 / M. Tzouros
Hololena curta	Agelenidae	2005 / M. Tzouros

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