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PA3(OH)3(OH)343

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / A. aperta
Synonym	—
Molecular formula	C₁₆H₄₀N₆O₂
CAS	—
SMILES	`NCCCN(O)CCCN(CCCNCCCCNCCCN)O`
InChI	`InChI=1S/C16H40N6O2/c17-7-3-11-19-9-1-2-10-20-12-5-14-22(24)16-6-15-21(23)13-4-8-18/h19-20,23-24H,1-18H2`

Precursor 1 [M+H]⁺	349.32855
Precursor 2 [M+2H]²⁺	175.16791
Precursor 3

HDX	8
Precursor HDX 1 [M(D₈)+D]⁺	358.38504
Precursor HDX 2 [M(D₈)+2D]²⁺	180.19930
Precursor HDX 3

Rt	1.11
Rt HDX	1.07

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	164.13935	129.13862	112.11208	146.16517
3	204.17065	186.16009	187.14410	221.19720	186.19647	169.16993	219.21794
4	275.24415	257.23359	258.21760	292.27070	259.24924	242.22269	292.27070
5	332.30200	314.29144	315.27545	349.32855	332.30200	315.27545	349.32855

Additional MS/MS fragments

m/z	Annotation

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	349.32855		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	3349.32855		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	349.32855		H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	349.32855		Hololena sp.	Spider Pharm, USA	Y. M. Forster
Data	HDX		Hololena sp.	Spider Pharm, USA	Y. M. Forster

References

Title	Reference	Spider	Name	Content	Link

Spider species

Spider species	Family	Discovered
Agelenopsis aperta	Agelenidae	2020 / Y. M. Forster
Agelenopsis potteri	Agelenidae	2020 / Y. M. Forster
Hololena curta	Agelenidae	2020 / Y. M. Forster
Hololena sp.	Agelenidae	2020 / Y. M. Forster

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