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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 BP20: 20.000
- ECL on DB225: 20.000
- ECL on SLB-IL61: 20.000
- ECL on SLB-IL82: 20.000
- ECL on SLB-IL100: 20.000

Non-derivatized:

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



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.