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2(E),7(Z),10(Z),13(Z),16(Z)-Docosapentaenoate <methyl->
SpectraBase Compound ID 6VQSTqBEPH3
InChI InChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11,13-14,16-17,21-22H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-,22-21+
InChIKey PDCVCNURRHNQMX-GGRNPPCISA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGzIBv5dGZq
Name 2(E),7(Z),10(Z),13(Z),16(Z)-Docosapentaenoate
CAS Registry Number 875288-79-2
Classification Fatty esters; Fatty acid methyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 344.271530397 u
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11,13-14,16-17,21-22H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-,22-21+
InChIKey PDCVCNURRHNQMX-GGRNPPCISA-N
Molecular Weight 344.539 g/mol
Number of Peaks 276
RI2 2457
RI4 2509
RI5 2180
SMILES C(\C=C\CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(=O)OC
SPLASH splash10-055f-9600000000-474cd1e0f62d4916a49e
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2,7,10,13,16-Docosapentaenoic acid, methyl ester, (2E,7Z,10Z,13Z,16Z)-
Wiley ID LM_LIPIDS2016_235