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IndAcGln4

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₁₉H₂₇N₅O₃
CAS	—
SMILES	`O=C(NC(CCC(N)=O)C(NCCCCN)=O)CC1=CNC2=C1C=CC=C2`
InChI	`InChI=1S/C19H27N5O3/c20-9-3-4-10-22-19(27)16(7-8-17(21)25)24-18(26)11-13-12-23-15-6-2-1-5-14(13)15/h1-2,5-6,12,16,23H,3-4,7-11,20H2,(H2,21,25)(H,22,27)(H,24,26)`

Precursor 1 [M+H]⁺	374.21867
Precursor 2 [M+2H]²⁺	187.61297
Precursor 3

HDX	7
Precursor HDX 1 [M(D₇)+D]⁺	382.26888
Precursor HDX 2 [M(D₇)+2D]²⁺	192.14122
Precursor HDX 3

Rt	10.76
Rt HDX	9.55

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	286.11862	268.10805	269.09207	303.14517	72.08078	55.05423	89.10732
2	357.19212	339.18155	340.16557	374.21867	200.13935	183.11280	217.16590

Additional MS/MS fragments

m/z	Annotation
130.06513	a’
158.06004	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	374.21867		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos, BRA	Y. M. Forster
Data	HDX		P. bistriata	Prof. Dr. Wagner Ferreira dos Santos, BRA	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
Low molecular mass compounds in spider venom	Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation	div.			Link

Spider species

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

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