Phenylalanine

General Description

NameValue
LevelS-1 / C-1
Discovered1994 / C. salei
Synonym
Molecular formulaC₉H₁₁NO₂
CAS63-91-2
SMILESOC(C(N)CC1=CC=CC=C1)=O
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
Precursor 1 [M+H]⁺166.08626
Precursor 2
Precursor 3
HDX3
Precursor HDX 1 [M(D₃)+D]⁺170.11136
Precursor HDX 2
Precursor HDX 3
Rt4.84
Rt HDX4.76

MS/MS fragments

m/zMolecular formulaAnnotation
166.08626C₉H₁₂NO₂[M+H]⁺
149.05971C₉H₉O₂[M+H-NH₃]⁺
131.04914C₉H₇O[M+H-NH₃-H₂O]⁺
120.08078C₈H₁₀N[M+H-HCOOH]⁺
107.04914C₇H₇O
103.05423C₈H₇
93.06988C₇H₉

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data166.08626PhenylalanineFlukaY. M. Forster
Data166.08626H. davidbowieAlpha Biotoxin, BELY. M. Forster
Data166.08626L. mactansSpider Pharm, USAY. M. Forster
Data166.08626T. clavipesSpider Pharm, USAY. M. Forster
DataHDXT. clavipesSpider Pharm, USAY. M. Forster
Data166.08626P. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster
DataHDXP. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster
Data166.08626P. viridansSpider Pharm, USAY. M. Forster
Data166.08626P. mexicanusSpider Pharm, USAY. M. Forster
Data166.08626S. grossaSpider Pharm, USAY. M. Forster

References

TitleReferenceSpiderNameContentLink
Purification of toxic peptides and the amino acid sequence of CSTX-1 from the multicomponent venom of Cupiennius salei (Araneae: Ctenidae)L. Kuhn-Nentwig, J. Schaller, W. Nentwig, Toxicon 1994, 32, 3, 287-302C. saleiLink
Elucidation of the structure and synthesis of neuroprotective low molecular mass components of the Parawixia bistriata spider venomY. 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., 2020P. bistriataESI-MS/MSLink

Spider species

Spider speciesFamilyDiscovered
Cupiennius saleiCtenidae1994 / L. Kuhn-Nentwig
Heteropoda davidbowieSparassidae2020 / Y. M. Forster
Latrodectus mactansTheridiidae2020 / Y. M. Forster
Trichonephila clavipesAraneidae2020 / Y. M. Forster
Parawixia bistriataAraneidae2020 / Y. M. Forster
Peucetia viridansOxyopidae2020 / Y. M. Forster
Physocyclus mexicanusPholcidae2020 / Y. M. Forster
Steatoda grossaTheridiidae2020 / Y. M. Forster

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