venoMS

Navigation :

4-OH-IndAcAsn5ßAla43Arg

General Description

Name	Value
Level	S-4 / C-3
Discovered	1997 / N. cruentata
Synonym	NPTX 744 / NPTX 744A
Molecular formula	C₃₅H₆₀N₁₂O₆
CAS	—
SMILES	`O=C(NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNCCCNC(C(CCCNC(N)=N)N)=O)=O)=O)CC1=CNC2=C1C(O)=CC=C2`
InChI	`InChI=1S/C35H60N12O6/c36-25(9-7-18-45-35(38)39)33(52)43-19-8-15-40-13-4-5-14-41-20-12-30(50)42-16-2-1-3-17-44-34(53)27(22-29(37)49)47-31(51)21-24-23-46-26-10-6-11-28(48)32(24)26/h6,10-11,23,25,27,40-41,46,48H,1-5,7-9,12-22,36H2,(H2,37,49)(H,42,50)(H,43,52)(H,44,53)(H,47,51)(H4,38,39,45)`

Precursor 1 [M+H]⁺	745.48315
Precursor 2 [M+2H]²⁺	373.24522
Precursor 3

HDX	16
Precursor HDX 1 [M(D₁₆)+D]⁺	762.58986
Precursor HDX 2 [M(D₁₆)+2D]²⁺	382.30171
Precursor HDX 3

Rt
Rt HDX

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	288.09788	270.08732	271.07133	305.12443	214.16624	197.13969	231.19279
2	373.18703	355.17647	356.16048	390.21358	285.23974	268.21319	302.26629
3	444.22415	426.21358	427.19760	461.25069	356.27685	339.25030	373.30340
4	515.29764	497.28708	498.27110	532.32419	441.36600	424.33945	458.39255
5	572.35549	554.34493	555.32894	745.48315	555.40893	538.38238	572.43548

Additional MS/MS fragments

m/z	Annotation
146.06004	a’
174.05495	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author

References

Title	Reference	Spider	Name	Content	Link
Mass spectrometric structure determination of spider toxins: Arginine-containing acylpolyamines from venoms of Brazilian garden spider Nephilengys cruentata	M. S. Palma, Y. Itagaki, T. Fujita, M. Hisada, H. Naoki, T. Nakajima, Nat. Toxins 1997, 5, 47-57	N. cruentata	NPTX 744	FAB-MS/MS	Link
Structures of spider toxins: Hydroxyindole-3-acetylpolyamines and a new generalized structure of type-E compounds obtained from the venom of the Joro spider, Nephila clavata	M. Hisada, T. Fujita, H. Naoki, Y. Itagaki, H. Irie, M. Miyashita, T. Nakajima, Toxicon 1998, 36, 1115-1125	N. clavata	NPTX 744	CID (ns)	Link
Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines	Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52	N. clavata & N. cruentata	NPTX 744A	Review	Link
A natural combinatorial chemistry strategy in acylpolyamine toxins from Nephilinae orb-web spiders	M. S. Palma, T. Nakajima, Toxin Rev. 2005, 24, 209-234	div.	NPTX 744A	LC-MS	Link

Spider species

Spider species	Family	Discovered
Nephila clavata	Araneidae	1998 / M. Hisada
Nephilingis borbonica	Araneidae	2005 / M. S. Palma
Nephilingis cruentata	Araneidae	1997 / M. S. Palma

Comments