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IndAc3(OH)335(NMe₂)

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / A. aperta
Synonym—
Molecular formulaC₂₆H₄₆N₆O₂
CAS—
SMILESO=C(CC1=CNC2=C1C=CC=C2)NCCCN(O)CCCNCCCNCCCCCN(C)C
InChIInChI=1S/C26H46N6O2/c1-31(2)18-7-3-6-13-27-14-8-15-28-16-9-19-32(34)20-10-17-29-26(33)21-23-22-30-25-12-5-4-11-24(23)25/h4-5,11-12,22,27-28,30,34H,3,6-10,13-21H2,1-2H3,(H,29,33)
Precursor 1 [M+H]⁺475.37550
Precursor 2 [M+2H]²⁺238.19139
Precursor 3
HDX5
Precursor HDX 1 [M(D₅)+D]⁺481.41316
Precursor HDX 2 [M(D₅)+2D]²⁺241.71336
Precursor HDX 3
Rt10.39
Rt HDX8.69

Calculated MS/MS fragments

#abctazytz
1215.11789197.10732198.09134248.13935114.1277397.10118131.15428
2288.17065270.16009271.14410305.19720171.18558154.15903188.21212
3345.22850327.21794328.20195362.25505228.24342211.21688261.26489
4430.31765412.30709413.29110475.37550301.29619284.26964318.32274

Additional MS/MS fragments

m/zAnnotation
86.09643tz1-HNMe₂
126.12773z2-HNMe₂
130.06513a’
143.15428tz2-HNMe₂
175.08659ta0
183.18558z3-HNMe₂
216.20704tz3-HNMe₂
273.26489tz4-HNMe₂

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data475.37550A. apertaFauna Laboratories Ltd., KAZY. M. Forster
Data238.19139A. apertaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXA. apertaFauna Laboratories Ltd., KAZY. M. Forster
Data475.37550A. potteriFauna Laboratories Ltd., KAZY. M. Forster
DataHDXA. potteriFauna Laboratories Ltd., KAZY. 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
Agelenopsis apertaAgelenidae2020 / Y. M. Forster
Agelenopsis potteriAgelenidae2020 / Y. M. Forster

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