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TrpAsn43

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₂₂H₃₅N₇O₃
CAS	—
SMILES	`NCCCNCCCCNC(C(CC(N)=O)NC(C(N)CC1=CNC2=C1C=CC=C2)=O)=O`
InChI	`InChI=1S/C22H35N7O3/c23-8-5-10-26-9-3-4-11-27-22(32)19(13-20(25)30)29-21(31)17(24)12-15-14-28-18-7-2-1-6-16(15)18/h1-2,6-7,14,17,19,26,28H,3-5,8-13,23-24H2,(H2,25,30)(H,27,32)(H,29,31)`

Precursor 1 [M+H]⁺	446.28741
Precursor 2 [M+2H]²⁺	223.64735
Precursor 3

HDX	10
Precursor HDX [M(D₁₀)+D]⁺	457.35646
Precursor HDX 2 [M(D₁₀)+2D]²⁺	229.68501
Precursor HDX 3

Rt	5.13
Rt HDX	3.99

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	301.12952	283.11895	284.10297	318.15607	58.06513	41.03858	75.09167
2	372.20302	354.19245	355.17647	389.22957	129.13862	112.11208	146.16517
3	429.26087	411.25030	412.23432	446.28741	243.18155	226.15500	260.20810

Additional MS/MS fragments

m/z	Annotation
130.06513	“indol”
159.09167	a’
170.06004	c0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	446.28741		P. bistriata	Spider Pharm, USA	Y. M. Forster
Data	223.64735		P. bistriata	Spider Pharm, USA	Y. M. Forster
Data	HDX		P. bistriata	Spider Pharm, USA	Y. M. Forster

References

Title	Reference	Spider	Name	Content	Link
Elucidation of the structure and synthesis of neuroprotective low molecular mass components of the Parawixia bistriata spider venom	Y. M. Forster, J. L. Green, A. Khatiwada, J. L. Liberato, P. A. Narayana Reddy, J. M. Salvino, S. Bienz, L. Bigler, W. Ferreira dos Santos, A. C. K. Fontana, ACS Chem Neurosci., 2020	P. bistriata		ESI-MS/MS	Link

Spider species

Spider species	Family	Discovered
Parawixia bistriata	Araneidae	2020 / Y. M. Forster

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