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SAN-012 / 21:0 / 21:0

Names: Methyl henicosanoate;  Methyl heneicosanoate;  Henicosanoic acid methyl ester;  Heneicosanoic acid methyl ester

Formula: C22H44O2

Molar mass: 340.588 Da

Monoisotopic mass: 340.334 Da

SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI Key: AJRICDSAJQHDSD-UHFFFAOYSA-N

InChI: 1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3-21H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 21.000
- ECL on BP20: 21.000
- ECL on DB225: 21.000
- ECL on SLB-IL61: 21.000
- ECL on SLB-IL82: 21.000
- ECL on SLB-IL100: 21.000

Non-derivatized:

Names: Henicosanoic acid;  Heneicosanoic acid

Formula: C21H42O2

Molar mass: 326.562 Da

SMILES: CCCCCCCCCCCCCCCCCCCCC(O)=O

InChI Key: CKDDRHZIAZRDBW-UHFFFAOYSA-N

InChI: 1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)

ChEBI code: CHEBI:39248

Lipid Maps code: LMFA01010021



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.