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4-OH-Bz3

General Description

Name	Value
Level	S-1 / C-1
Discovered	2020 / A. aperta
Synonym	—
Molecular formula	C₁₀H₁₄N₂O₂
CAS	195152-34-2
SMILES	`O=C(NCCCN)C1=CC=C(O)C=C1`
InChI	`InChI=1S/C10H14N2O2/c11-6-1-7-12-10(14)8-2-4-9(13)5-3-8/h2-5,13H,1,6-7,11H2,(H,12,14)`

Precursor 1 [M+H]⁺	195.11280
Precursor 2 [M+2H]²⁺	98.06004
Precursor 3

HDX	4
Precursor HDX 1 [M(D₄)+D]⁺	200.14419
Precursor HDX 2 [M(D₄)+2D]²⁺	101.07887
Precursor HDX 3

Rt	3.68
Rt HDX	2.95

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	178.08626	160.07569	161.05971	178.08680	58.06513	41.03858	75.09167

Additional MS/MS fragments

m/z	Annotation
121.02841	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	195.11280		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	195.11280		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. potteri	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	195.11280		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		E. agrestis	Fauna Laboratories Ltd., KAZ	Y. M. Forster

References

Title	Reference	Spider	Name	Content	Link
Radioiodinated N-(alkylaminoalkyl)-substituted 4-methoxy, 4-hydroxy, and 4-aminobenzamides: Biological investigations for the improvement of melanoma-imaging agents	A. Mohammed, C. Nicholl, T. Titsch, M. Eisenhut, Nuclear Medicine & Biology 1997, 24, 373-380		(26)	Synthesis, NMR	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
Eratigena agrestis	Agelenidae	2020 / Y. M. Forster

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