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4-OH-IndAc3335(NMe₃)⁺

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / A. aperta
Synonym—
Molecular formulaC₂₇H₄₉N₆O₂⁺
CAS—
SMILESO=C(NCCCNCCCNCCCNCCCCC[N+](C)(C)C)CC1=CNC2=C1C(O)=CC=C2
InChIInChI=1S/C27H48N6O2/c1-33(2,3)20-6-4-5-13-28-14-8-15-29-16-9-17-30-18-10-19-31-26(35)21-23-22-32-24-11-7-12-25(34)27(23)24/h7,11-12,22,28-30,32H,4-6,8-10,13-21H2,1-3H3,(H-,31,34,35)/p+1
Precursor 1 M⁺489.39115
Precursor 2 [M+H]²⁺245.19921
Precursor 3 [(M+H)+CF₃CO₂]⁺603.38402
HDX6
Precursor HDX 1 M(D₆)⁺495.42881
Precursor HDX 2 [M(D₆)+D]²⁺248.72118
Precursor HDX 3 [(M(D₆)+D)+CF₃CO₂]⁺610.42795
Rt6.67
Rt HDX5.45

Calculated MS/MS fragments

#abctazytz
1231.11280213.10224214.08626248.13935128.14338111.11683146.17775
2288.17065270.16009271.14410305.19720185.20123167.16685203.23560
3345.22850327.21794328.20195362.25505242.25907223.21688260.29345
4430.31765412.30709413.29110489.39115299.31692279.26690317.35130

Additional MS/MS fragments

m/zAnnotation
126.12773z2-NMe₃
143.15428tz2-NMe₃
146.06004a’
174.05495a0
183.18558z3-NMe₃
200.21212tz3-NMe₃
257.26997tz4-NMe₃

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data245.19921A. apertaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXA. apertaFauna Laboratories Ltd., KAZY. M. Forster
Data489.39115P. luctuosaFauna Laboratories Ltd., KAZY. M. Forster
Data245.19921P. luctuosaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXP. luctuosaFauna 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
Pireneitega luctuosaAgelenidae2020 / Y. M. Forster

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