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TrpAsn4Lys(Me₂)3⁺

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₃₀H₅₂N₉O₄⁺
CAS	—
SMILES	`O=C(C(N)CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCNC(C(N)CCCC[N+](C)(C)CCCN)=O)=O`
InChI	`InChI=1S/C30H51N9O4/c1-39(2,17-9-13-31)16-8-5-11-23(32)28(41)35-14-6-7-15-36-30(43)26(19-27(34)40)38-29(42)24(33)18-21-20-37-25-12-4-3-10-22(21)25/h3-4,10,12,20,23-24,26,37H,5-9,11,13-19,31-33H2,1-2H3,(H4-,34,35,36,38,40,41,42,43)/p+1`

Precursor 1 M⁺	602.41368
Precursor 2 [M+H]²⁺	301.71048
Precursor 3

HDX	12
Precursor HDX M(D₁₂)⁺	614.48900
Precursor HDX 2 [M(D₁₂)+D]²⁺	308.25128
Precursor HDX 3

Rt	6.21
Rt HDX	4.92

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	301.12952	283.11895	284.10297	318.15607	58.06513	41.03858	103.12297
2	372.20302	354.19245	355.17647	389.22957	214.19139	198.17266	231.21794
3	500.29798	482.28741	483.27143	545.35583	285.26489	269.24616	302.29144
4	585.38713	567.37656	568.36058	602.41368	399.30782	383.28909	416.33436

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	602.41368		P. bistriata	Spider Pharm, USA	Y. M. Forster
Data	301.71048		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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