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SAN-002 / 10:0 / 10:0 |
Names: Methyl decanoate; Decanoic acid methyl ester; Capric acid methyl ester; Methyl caprate; Caprinic acid methyl ester
Formula: C11H22O2
Molar mass: 186.294 Da
Monoisotopic mass: 186.162 Da
SMILES: CCCCCCCCCC(=O)OC
InChI Key: YRHYCMZPEVDGFQ-UHFFFAOYSA-N
InChI: 1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
Lipid Maps code: LMFA07010454
Typical retention indexes:
- ECL on BPX70: 10.000
- ECL on Wax: 10.000
- ECL on DB225: 10.000
- ECL on 5% phenyl: 10.000
- ECL on Rxi-1: 10.000
- ECL on SLB-IL61: 10.000
- ECL on SLB-IL82: 10.000
- ECL on SLB-IL100: 10.000
- KI on Wax: 1602
- KI on 5% phenyl: 1323
Names: Decanoic acid; Caprinic acid
Formula: C10H20O2
Molar mass: 172.267 Da
SMILES: CCCCCCCCCC(O)=O
InChI Key: GHVNFZFCNZKVNT-UHFFFAOYSA-N
InChI: 1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
ChEBI code: CHEBI:30813
Lipid Maps code: LMFA01010010
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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. |