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IndAcAsn5Gly4ßAla4ßAla4

General Description

Name	Value
Level	S-4 / C-3
Discovered	1997 / N. borbonica
Synonym	NPTX 785 / NPTX 785C
Molecular formula	C₃₉H₆₇N₁₁O₆
CAS	—
SMILES	`O=C(NC(CC(N)=O)C(NCCCCCNC(CNCCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)=O)CC1=CNC2=C1C=CC=C2`
InChI	`InChI=1S/C39H67N11O6/c40-16-4-7-17-42-24-14-35(52)45-21-10-8-18-43-25-15-36(53)46-22-11-9-19-44-29-38(55)47-20-5-1-6-23-48-39(56)33(27-34(41)51)50-37(54)26-30-28-49-32-13-3-2-12-31(30)32/h2-3,12-13,28,33,42-44,49H,1,4-11,14-27,29,40H2,(H2,41,51)(H,45,52)(H,46,53)(H,47,55)(H,48,56)(H,50,54)`

Precursor 1 [M+H]⁺	786.53486
Precursor 2 [M+2H]²⁺	393.77107
Precursor 3

HDX	13
Precursor HDX 1 [M(D₁₃)+D]⁺	800.62273
Precursor HDX 2 [M(D₁₃)+2D]²⁺	401.31814
Precursor HDX 3

Rt
Rt HDX

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	272.10297	254.09240	255.07642	289.12952	72.08078	55.05423	89.10732
2	357.19212	339.18155	340.16557	374.21867	143.11789	126.09134	160.14444
3	414.21358	396.20302	397.18703	431.24013	214.19139	197.16484	231.21794
4	485.28708	467.27652	468.26053	502.31363	285.22850	268.20195	302.25505
5	556.32419	538.31363	539.29764	573.35074	356.30200	339.27545	373.32855
6	627.39769	609.38713	610.37114	644.42424	413.32347	396.29692	430.35001
7	698.43481	680.42424	681.40826	715.46136	498.41261	481.38607	515.43916
8	769.50831	751.49774	752.48176	786.53486	612.45554	595.42899	629.48209

Additional MS/MS fragments

m/z	Annotation
130.06513	a’
158.06004	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 785	FAB-MS/MS (ns)	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 (ns)	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 785C	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 785C	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

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