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SAN-011 / 20:0 / 20:0 |
Names: Methyl icosanoate; Methyl eicosanoate; Icosanoic acid methyl ester; Eicosanoic acid methyl ester; Icosanoic acid methyl ester; Arachidic acid methyl ester; Eicosanoic acid methyl ester
Formula: C21H42O2
Molar mass: 326.562 Da
Monoisotopic mass: 326.318 Da
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OC
InChI Key: QGBRLVONZXHAKJ-UHFFFAOYSA-N
InChI: 1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 20.000
- ECL on Wax: 20.000
- ECL on DB225: 20.000
- ECL on 5% phenyl: 20.000
- ECL on Rxi-1: 20.000
- ECL on SLB-IL61: 20.000
- ECL on SLB-IL82: 20.000
- ECL on SLB-IL100: 20.000
- KI on Wax: 2626
- KI on DB225: 2599
- KI on 5% phenyl: 2329
Names: Icosanoic acid; Eicosanoic acid; Arachidic acid
Formula: C20H40O2
Molar mass: 312.535 Da
SMILES: CCCCCCCCCCCCCCCCCCCC(O)=O
InChI Key: VKOBVWXKNCXXDE-UHFFFAOYSA-N
InChI: 1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
ChEBI code: CHEBI:28822
Lipid Maps code: LMFA01010020
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Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |