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IndAc3(OH)333(OH)3

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / A. aperta
Synonym	—
Molecular formula	C₂₅H₄₅N₇O₃
CAS	—
SMILES	`O=C(CC1=CNC2=C1C=CC=C2)NCCCN(O)CCCNCCCNCCCN(O)CCCN`
InChI	`InChI=1S/C25H45N7O3/c26-10-3-16-31(34)17-5-13-27-11-4-12-28-14-6-18-32(35)19-7-15-29-25(33)20-22-21-30-24-9-2-1-8-23(22)24/h1-2,8-9,21,27-28,30,34-35H,3-7,10-20,26H2,(H,29,33)`

Precursor 1 [M+H]⁺	492.36566
Precursor 2 [M+2H]²⁺	246.68647
Precursor 3

HDX	8
Precursor HDX 1 [M(D₈)+D]⁺	501.42216
Precursor HDX 2 [M(D₈)+2D]²⁺	251.71785
Precursor HDX 3

Rt	9.66
Rt HDX	7.88

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
3	345.22850	327.21794	328.20195	362.25505	188.17574	171.14919	205.20229
4	402.28635	384.27579	385.25980	435.30782	245.23359	228.20704	278.25505
5	475.33912	457.32855	458.31257	492.36566	318.28635	301.25980	335.31290

Additional MS/MS fragments

m/z	Annotation
98.09643	y2’
115.12297	z2’
130.06513	a’

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	492.36566		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	246.68647		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	492.36566		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. potteri	Fauna Laboratories Ltd., KAZ	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

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