venoMS

Navigation :

4-OH-IndAcAsn5Gly4ßAla4

General Description

Name	Value
Level	S-4 / C-3
Discovered	1997 / N. borbonica
Synonym	NPTX 659 / NPTX 659C
Molecular formula	C₃₂H₅₃N₉O₆
CAS	—
SMILES	`O=C(NC(CC(N)=O)C(NCCCCCNC(CNCCCCNC(CCNCCCCN)=O)=O)=O)CC1=CNC2=C1C(O)=CC=C2`
InChI	`InChI=1S/C32H53N9O6/c33-12-2-5-13-35-18-11-28(44)37-16-7-6-14-36-22-30(46)38-15-3-1-4-17-39-32(47)25(20-27(34)43)41-29(45)19-23-21-40-24-9-8-10-26(42)31(23)24/h8-10,21,25,35-36,40,42H,1-7,11-20,22,33H2,(H2,34,43)(H,37,44)(H,38,46)(H,39,47)(H,41,45)`

Precursor 1 [M+H]⁺	660.41916
Precursor 2 [M+2H]²⁺	330.71322
Precursor 3

HDX	12
Precursor HDX 1 [M(D₁₂)+D]⁺	673.50075
Precursor HDX 2 [M(D₁₂)+2D]²⁺	337.75715
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	72.08078	55.05423	89.10732
2	373.18703	355.17647	356.16048	390.21358	143.11789	126.09134	160.14444
3	430.20850	412.19793	413.18195	447.23504	214.19139	197.16484	231.21794
4	501.28199	483.27143	484.25545	518.30854	271.21285	254.18630	288.23940
5	572.31911	554.30854	555.29256	589.34566	356.30200	339.27545	373.32855
6	643.39261	625.38204	626.36606	660.41916	470.34493	453.31838	487.37148

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
Detection of new spider toxins from a Nephilengys borbonica venom gland using on-line µ-column HPLC continuous flow (FRIT) FAB LC/MS and MS/MS	Y. Itagaki, T. Fujita, H. Naoki, T. Yasuhara, M. Andriantsiferana, T. Nakajima, Nat. Toxins 1997, 5, 1-13	N. borbonica	NPTX 659	LC-FAB-MS	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		MS/MS	Link
Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines	Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52	N. borbonica & N. cruentata	NPTX 659C	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 659C	LC-MS	Link

Spider species

Spider species	Family	Discovered
Nephila clavata	Araneidae	2005 / M. S. Palma
Trichonephila inaurata madagascariensis	Araneidae	2005 / M. S. Palma
Nephilingis borbonica	Araneidae	1997 / Y. Itagaki
Nephilingis cruentata	Araneidae	1997 / M. S. Palma

Comments