venoMS

Navigation :

IndAc335(NMe₃)⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / A. aperta
Synonym	—
Molecular formula	C₂₄H₄₂N₅O⁺
CAS	—
SMILES	`O=C(NCCCNCCCNCCCCC[N+](C)(C)C)CC1=CNC2=C1C=CC=C2`
InChI	`InChI=1S/C24H41N5O/c1-29(2,3)18-8-4-7-13-25-14-9-15-26-16-10-17-27-24(30)19-21-20-28-23-12-6-5-11-22(21)23/h5-6,11-12,20,25-26,28H,4,7-10,13-19H2,1-3H3/p+1`

Precursor 1 M⁺	416.33839
Precursor 2 [M+H]²⁺	208.67283
Precursor 3 [(M+H)+CF₃CO₂]⁺	530.33125

HDX	4
Precursor HDX 1 M(D₄)⁺	420.36349
Precursor HDX 2 [M(D₄)+D]²⁺	211.18852
Precursor HDX 3 [(M(D₄)+D)+CF₃CO₂]⁺	535.36264

Rt	8.92
Rt HDX	7.61

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	215.11789	197.10732	198.09134	232.14444	128.14338	111.11683	146.17775
2	272.17574	254.16517	255.14919	289.20229	185.20123	167.16685	203.23560
3	357.26489	339.25432	340.23834	416.33839	242.25907	223.21688	260.29345

Additional MS/MS fragments

m/z	Annotation
98.09643	y2’
126.12773	z2-NMe₃
130.06513	a’

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	416.33839		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		A. aperta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	416.33839		H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	HDX		H. curta	Fauna Laboratories Ltd., KAZ	Y. M. Forster
Data	416.33839		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
Hololena curta	Agelenidae	2020 / Y. M. Forster
Hololena sp.	Agelenidae	2020 / Y. M. Forster

Comments