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IndAc3(OH)334

General Description

Name	Value
Level	S-1 / C-1
Discovered	2001 / A. aperta
Synonym	AG 432g
Molecular formula	C₂₃H₄₀N₆O₂
CAS	389872-73-5
SMILES	`O=C(NCCCN(O)CCCNCCCNCCCCN)CC1=CNC2=C1C=CC=C2`
InChI	`InChI=1S/C23H40N6O2/c24-10-3-4-11-25-12-5-13-26-14-6-16-29(31)17-7-15-27-23(30)18-20-19-28-22-9-2-1-8-21(20)22/h1-2,8-9,19,25-26,28,31H,3-7,10-18,24H2,(H,27,30)`

Precursor 1 [M+H]⁺	433.32855
Precursor 2 [M+2H]²⁺	217.16791
Precursor 3

HDX	7
Precursor HDX 1 [M(D₇)+D]⁺	441.37876
Precursor HDX 2 [M(D₇)+2D]²⁺	221.69616
Precursor HDX 3

Rt	9.06
Rt HDX	7.42

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	215.11789	197.10732	198.09134	248.13935	72.08078	55.05423	89.10732
2	288.17065	270.16009	271.14410	305.19720	129.13862	112.11208	146.16517
3	345.22850	327.21794	328.20195	362.25505	186.19647	169.16993	219.21794
4	416.30200	398.29144	399.27545	433.32855	259.24924	242.22269	276.27579

Additional MS/MS fragments

m/z	Annotation
130.06513	a’
158.06004	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	433.32855		synth. IndAc3(OH)334	UZH Bienz lab, CHE	Y. M. Forster
Data	217.16791		synth. IndAc3(OH)334	UZH Bienz lab, CHE	Y. M. Forster
Data	433.32855	IndAc3(OH)343	A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	217.16791	IndAc3(OH)343	A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX	IndAc3(OH)343	A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	433.32855	IndAc3(OH)343	A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	217.16791	IndAc3(OH)343	A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX	IndAc3(OH)343	A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	433.32855	4-OH-IndAc3(OH)343	H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	217.16791	4-OH-IndAc3(OH)343	H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX	4-OH-IndAc3(OH)343	H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	433.32855	4-OH-IndAc3(OH)343	Hololena sp.	Spider Pharm, USA	Y. M. Forster
Data	217.16791	4-OH-IndAc3(OH)343	Hololena sp.	Spider Pharm, USA	Y. M. Forster
Data	HDX	4-OH-IndAc3(OH)343	Hololena sp.	Spider Pharm, USA	Y. M. Forster
Data	433.32855		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
The acylpolyamines from the venom of the spider Agelenopsis aperta	S. Chesnov, L. Bigler, M. Hesse, Helv. Chim. Acta 2001, 84, 2178-2197	A. aperta	AG 432g	APCI-MS/MS	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	AG 432g	APCI-MS/MS	Link
Regioselective solid-phase synthesisof N-mono-hydroxylated and N-mono-methylated acylpolyamine spider toxins using a 2-(ortho-nitrophenyl)ethanal modified resin	D. Pauli, S. Bienz, Org. Biomol. Chem. 2015, 13, 4473-4485		AG 432g	Synthesis, NMR, 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	2001 / S. Chesnov
Agelenopsis potteri	Agelenidae	2020 / Y. M. Forster
Hololena curta	Agelenidae	2020 / Y. M. Forster
Hololena sp.	Agelenidae	2020 / Y. M. Forster
Pireneitega luctuosa	Agelenidae	2020 / Y. M. Forster

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