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IndAcAsn4

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₁₈H₂₅N₅O₃
CAS	—
SMILES	`NCCCCNC(C(CC(N)=O)NC(CC1=CNC2=C1C=CC=C2)=O)=O`
InChI	`InChI=1S/C18H25N5O3/c19-7-3-4-8-21-18(26)15(10-16(20)24)23-17(25)9-12-11-22-14-6-2-1-5-13(12)14/h1-2,5-6,11,15,22H,3-4,7-10,19H2,(H2,20,24)(H,21,26)(H,23,25)`

Precursor 1 [M+H]⁺	360.20302
Precursor 2 [M+2H]²⁺	180.60515
Precursor 3

HDX	7
Precursor HDX [M(D₇)+D]⁺	368.25323
Precursor HDX 2 [M(D₇)+2D]²⁺	185.13339
Precursor HDX 3

Rt	10.34
Rt HDX	9.11

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	343.17647	325.16590	326.14992	360.20302	186.12370	169.09715	203.15025

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	360.20302		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

Spider species

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

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