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IndAc4(OH)3

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / A. aperta
Synonym	—
Molecular formula	C₁₇H₂₆N₄O₂
CAS	—
SMILES	`O=C(NCCCCN(O)CCCN)CC1=CNC2=C1C=CC=C2`
InChI	`InChI=1S/C17H26N4O2/c18-8-5-11-21(23)10-4-3-9-19-17(22)12-14-13-20-16-7-2-1-6-15(14)16/h1-2,6-7,13,20,23H,3-5,8-12,18H2,(H,19,22)`

Precursor 1 [M+H]⁺	319.21285
Precursor 2 [M+2H]²⁺	160.11006
Precursor 3

HDX	5
Precursor HDX 1 [M(D₅)+D]⁺	325.25051
Precursor HDX 2 [M(D₅)+2D]²⁺	163.63203
Precursor HDX 3

Rt	11.04
Rt HDX	9.39

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	229.13354	211.12297	212.10699	262.15500	58.06513	41.03858	91.08659
2	302.18630	284.17574	285.15975	319.21285	145.13354	128.10699	162.16009

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	319.21285	IndAc3(OH)4	A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX	IndAc3(OH)4	A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	319.21285		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	319.21285		H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	319.21285		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
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	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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