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IndAc3(OH)4

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / A. aperta
Synonym—
Molecular formulaC₁₇H₂₆N₄O₂
CAS—
SMILESO=C(NCCCN(O)CCCCN)CC1=CNC2=C1C=CC=C2
InChIInChI=1S/C17H26N4O2/c18-8-3-4-10-21(23)11-5-9-19-17(22)12-14-13-20-16-7-2-1-6-15(14)16/h1-2,6-7,13,20,23H,3-5,8-12,18H2,(H,19,22)
Precursor 1 [M+H]⁺319.21285
Precursor 2 [M+2H]²⁺160.11006
Precursor 3
HDX5
Precursor HDX 1 [M(D₅)+D]⁺325.25051
Precursor HDX 2 [M(D₅)+2D]²⁺163.63203
Precursor HDX 3
Rt11.04
Rt HDX9.39

Calculated MS/MS fragments

#abctazytz
1215.11789197.10732198.09134248.1393572.0807855.05423105.10224
2302.18630284.17574285.15975319.21285145.13354128.10699162.16009

Additional MS/MS fragments

m/zAnnotation
130.06513a’
158.06004a0

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data319.21285IndAc4(OH)3A. apertaFauna Laboratories Ltd., KAZY. M. Forster
DataHDXIndAc4(OH)3A. apertaFauna 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

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