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4-OH-IndAcAsn4

General Description

Name	Value
Level	S-3 / C-1
Discovered	2020 / P. bistriata
Synonym	—
Molecular formula	C₁₈H₂₅N₅O₄
CAS	—
SMILES	`O=C(NC(CC(N)=O)C(NCCCCN)=O)CC1=CNC2=C1C(O)=CC=C2`
InChI	`InChI=1S/C18H25N5O4/c19-6-1-2-7-21-18(27)13(9-15(20)25)23-16(26)8-11-10-22-12-4-3-5-14(24)17(11)12/h3-5,10,13,22,24H,1-2,6-9,19H2,(H2,20,25)(H,21,27)(H,23,26)`

Precursor 1 [M+H]⁺	376.19793
Precursor 2 [M+2H]²⁺	188.60260
Precursor 3

HDX	8
Precursor HDX [M(D₈)+D]⁺	385.25442
Precursor HDX 2 [M(D₈)+2D]²⁺	193.63399
Precursor HDX 3

Rt	7.40
Rt HDX	6.27

Calculated MS/MS fragments

#	a	b	c	ta	z	y	tz
1	288.09788	270.08732	271.07133	305.12443	72.08078	55.05423	89.10732
2	359.17138	341.16082	342.14483	376.19793	186.12370	169.09715	203.15025

Additional MS/MS fragments

m/z	Annotation
146.06004	a’
174.05495	a0

Recorded MS/MS spectra

pdf	Precursor	Co-eluting	Spider	Source	Author
Data	376.19793		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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