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Pantothenic acid

General Description

NameValue
LevelS-1 / C-1
Discovered2020 / P. bistriata
Synonym
Molecular formulaC₉H₁₇NO₅
CAS63409-48-3
SMILESOC(CCNC(C(O)C(C)(C)CO)=O)=O
InChIInChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)
Precursor 1 [M+H]⁺220.11795
Precursor 2 [M+Na]⁺242.09989
Precursor 3
HDX4
Precursor HDX 1 [[M(D₄)+D]⁺225.14933
Precursor HDX 2
Precursor HDX 3
Rt4.57
Rt HDX4.18

MS/MS fragments

m/zMolecular formulaAnnotation
220.11795C₉H₁₈NO₅[M+H]⁺
202.10738C₉H₁₆NO₄[M+H-H₂O]⁺
184.09682C₉H₁₄NO₃[M+H-2H₂O]⁺
142.08626C₇H₁₂NO₂
124.07569C₇H₁₀NO
103.07536C₅H₁₁O₂
98.02365C₄H₄NO₂
90.05495C₃H₈NO₂
85.06479C₅H₉O
72.04439C₃H₆NO

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data220.11795Calcium pantothenate (CAS 63409-48-3)FlukaY. M. Forster
Data220.11795E. agrestisFauna Laboratories Ltd., KAZY. M. Forster
DataHDXE. agrestisFauna Laboratories Ltd., KAZY. M. Forster
Data220.11795L. mactansSpider Pharm, USAY. M. Forster
Data220.11795P. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster
DataHDXP. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster

References

TitleReferenceSpiderNameContentLink
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
Eratigena agrestisAgelenidae2020 / Y. M. Forster
Latrodectus mactansTheridiidae2020 / Y. M. Forster
Parawixia bistriataAraneidae2020 / Y. M. Forster

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