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TrpAsn4Lys(Me₂)3Arg⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₃₆H₆₄N₁₃O₅⁺
CAS	—
SMILES	`O=C(C(N)CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCNC(C(N)CCCC[N+](C)(C)CCCNC(C(CCCNC(N)=N)N)=O)=O)=O`
InChI	`InChI=1S/C36H63N13O5/c1-49(2,20-10-18-44-33(52)27(38)13-9-17-46-36(41)42)19-8-5-12-26(37)32(51)43-15-6-7-16-45-35(54)30(22-31(40)50)48-34(53)28(39)21-24-23-47-29-14-4-3-11-25(24)29/h3-4,11,14,23,26-28,30,47H,5-10,12-13,15-22,37-39H2,1-2H3,(H9-,40,41,42,43,44,45,46,48,50,51,52,53,54)/p+1`

Precursor 1 M⁺	758.51479
Precursor 2 [M+H]²⁺	379.76103
Precursor 3 [(M+H)+CF₃CO₂]⁺	872.50765

HDX	17
Precursor HDX M(D₁₇)⁺	775.62149
Precursor HDX 2 [M(D₁₇)+D]²⁺	388.81752
Precursor HDX 3 [(M(D₁₇)+D)+CF₃CO₂]⁺	890.62063

Rt	7.35
Rt HDX	5.92

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	301.12952	283.11895	284.10297	318.15607	214.16624	197.13969	259.22409
2	372.20302	354.19245	355.17647	389.22957	370.29250	354.27378	387.31905
3	500.29798	482.28741	483.27143	545.35583	441.36600	425.34728	458.39255
4	585.38713	567.37656	568.36058	758.51479	555.40893	539.39020	572.43548

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	379.76103		P. bistriata	Spider Pharm, USA	Y. M. Forster
Data	872.50765		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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