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4-OH-IndAc3(OH)43

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / Hololena sp.
Synonym	—
Molecular formula	C₂₀H₃₃N₅O₃
CAS	—
SMILES	`O=C(NCCCN(O)CCCCNCCCN)CC1=CNC2=C1C(O)=CC=C2`
InChI	`InChI=1S/C20H33N5O3/c21-8-4-10-22-9-1-2-12-25(28)13-5-11-23-19(27)14-16-15-24-17-6-3-7-18(26)20(16)17/h3,6-7,15,22,24,26,28H,1-2,4-5,8-14,21H2,(H,23,27)`

Precursor 1 [M+H]⁺	392.26562
Precursor 2 [M+2H]²⁺	196.63645
Precursor 3

HDX	7
Precursor HDX [M(D₇)+D]⁺	400.31583
Precursor HDX 2 [M(D₇)+2D]²⁺	201.16469
Precursor HDX 3

Rt
Rt HDX

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	231.11280	213.10224	214.08626	264.13427	58.06513	41.03858	75.09167
2	318.18122	300.17065	301.15467	335.20777	129.13862	112.11208	162.16009
3	375.23907	357.22850	358.21252	392.26562	202.19139	185.16484	219.21794

Additional MS/MS fragments

m/z	Annotation
146.06004	a’
174.05495	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	392.26562		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
Hololena sp.	Agelenidae	2020 / Y. M. Forster

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