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4-OH-IndAc3(OH)33

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / Hololena sp.
Synonym	—
Molecular formula	C₁₉H₃₁N₅O₃
CAS	—
SMILES	`ON(CCCNCCCN)CCCNC(CC1=CNC2=C1C(O)=CC=C2)=O`
InChI	`InChI=1S/C19H31N5O3/c20-7-2-8-21-9-3-11-24(27)12-4-10-22-18(26)13-15-14-23-16-5-1-6-17(25)19(15)16/h1,5-6,14,21,23,25,27H,2-4,7-13,20H2,(H,22,26)`

Precursor 1 [M+H]⁺	378.24997
Precursor 2 [M+2H]²⁺	189.62862
Precursor 3

HDX	7
Precursor HDX [M(D₇)+D]⁺	386.30018
Precursor HDX 2 [M(D₇)+2D]²⁺	194.15687
Precursor HDX 3

Rt	6.86
Rt HDX	5.27

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	304.16557	286.15500	287.13902	321.19212	115.12297	98.09643	148.14444
3	361.22342	343.21285	344.19687	378.24997	188.17574	171.14919	205.20229

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	378.24997		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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