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6(Z),9(Z),12(Z),15(Z),18(Z)-Heneicosapentaenoate <methyl->
SpectraBase Compound ID MXxSCIXkp4
InChI InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-21H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKey VWHAHPVYEMPWTO-JEBPEJKESA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEtVjv6zeHA
Name 6(Z),9(Z),12(Z),15(Z),18(Z)-Heneicosapentaenoate
CAS Registry Number 65919-53-1
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 330.255880333 u
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-21H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKey VWHAHPVYEMPWTO-JEBPEJKESA-N
Molecular Weight 330.512 g/mol
Number of Peaks 193
RI2 2291
RI4 2362
RI5 2035
SMILES C(CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC
SPLASH splash10-05po-9500000000-73be0abdfc773a26d5d8
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 6,9,12,15,18-Heneicosapentaenoic acid, methyl ester, (all-Z)- (9CI) Me. C21:5n3
Wiley ID LM_LIPIDS2016_170