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4-OH-IndAcAsn4ßAla3ßAla4ßAla4

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / T. clavipes
Synonym—
Molecular formulaC₃₈H₆₅N₁₁O₇
CAS—
SMILESO=C(NC(CC(N)=O)C(NCCCCNC(CCNCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)=O)CC1=CNC2=C1C(O)=CC=C2
InChIInChI=1S/C38H65N11O7/c39-14-1-2-15-41-22-11-33(52)44-18-4-3-16-42-23-12-35(54)46-21-8-17-43-24-13-34(53)45-19-5-6-20-47-38(56)30(26-32(40)51)49-36(55)25-28-27-48-29-9-7-10-31(50)37(28)29/h7,9-10,27,30,41-43,48,50H,1-6,8,11-26,39H2,(H2,40,51)(H,44,52)(H,45,53)(H,46,54)(H,47,56)(H,49,55)
Precursor 1 [M+H]⁺788.51412
Precursor 2 [M+2H]²⁺394.76070
Precursor 3
HDX14
Precursor HDX [M(D₁₄)+D]⁺803.60827
Precursor HDX 2 [M(D₁₄)+2D]²⁺402.81091
Precursor HDX 3
Rt8.44
Rt HDX7.19

Calculated MS/MS fragments

#abctazytz
1288.09788270.08732271.07133305.1244372.0807855.0542389.10732
2359.17138341.16082342.14483376.19793143.11789126.09134160.14444
3430.20850412.19793413.18195447.23504214.19139197.16484231.21794
4487.26634469.25578470.23980504.29289285.22850268.20195302.25505
5558.30346540.29289541.27691575.33001342.28635325.25980359.31290
6629.37696611.36639612.35041646.40351413.32347396.29692430.35001
7700.41407682.40351683.38752717.44062484.39696467.37042501.42351
8771.48757753.47701754.46102788.51412598.43989581.41334615.46644

Additional MS/MS fragments

m/zAnnotation
146.06004a’
174.05495a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data788.51412T. clavipesSpider Pharm, USAY. M. Forster
Data394.76070T. clavipesSpider Pharm, USAY. M. Forster
DataHDXT. clavipesSpider Pharm, USAY. M. Forster

References

TitleReferenceSpiderNameContentLink
Low molecular mass compounds in spider venomY. M. Forster, S. Bienz, L. Bigler, 2020, in preparationdiv.Link

Spider species

Spider speciesFamilyDiscovered
Trichonephila clavipesAraneidae2020 / Y. M. Forster

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