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IndAc3(OH)3

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / A. aperta
Synonym	—
Molecular formula	C₁₆H₂₄N₄O₂
CAS	—
SMILES	`O=C(NCCCN(O)CCCN)CC1=CNC2=C1C=CC=C2`
InChI	`InChI=1S/C16H24N4O2/c17-7-3-9-20(22)10-4-8-18-16(21)11-13-12-19-15-6-2-1-5-14(13)15/h1-2,5-6,12,19,22H,3-4,7-11,17H2,(H,18,21)`

Precursor 1 [M+H]⁺	305.19720
Precursor 2 [M+2H]²⁺	153.10224
Precursor 3

HDX	5
Precursor HDX 1 [M(D₅)+D]⁺	311.23486
Precursor HDX 2 [M(D₅)+2D]²⁺	156.62421
Precursor HDX 3

Rt	9.81
Rt HDX	8.13

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	215.11789	197.10732	198.09134	248.13935	58.06513	41.03858	91.08659
2	288.17065	270.16009	271.14410	305.19720	131.11789	114.09134	148.14444

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	305.19720		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	305.19720		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	305.19720		H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	305.19720		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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