|
|
ALD-484 / 16:0 Ald / Hexadecanal |
Names: Hexadecanal; Palmitaldehyde; Palmityl aldehyde; Palmitic aldehyde
Formula: C16H32O
Molar mass: 240.428 Da
Monoisotopic mass: 240.245 Da
SMILES: CCCCCCCCCCCCCCCC=O
InChI Key: NIOYUNMRJMEDGI-UHFFFAOYSA-N
InChI: 1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
ChEBI code: CHEBI:17600
Lipid Maps code: LMFA06000088
Typical retention indexes:
- ECL on BPX70: 16.052
- ECL on Wax: 15.214
- ECL on DB225: 15.581
- ECL on 5% phenyl: 14.923
- ECL on Rxi-1: 14.892
- KI on Wax: 2136
- KI on DB225: 2141
- KI on 5% phenyl: 1818
Additional information:
Long chain aldehydes may be formed in the GC injector from 3-hydroxy FAME with two more carbons. See H. Husmann et al, J. Sep. Sci. 13 (1990) 780-782. 3-Hydroxyoctadecanoic acid is therefore listed as the non-derivatized (parent) compound.
Name: 3-Hydroxyoctadecanoic acid (decomposes)
Formula: C18H36O3
Molar mass: 300.481 Da
SMILES: CCCCCCCCCCCCCCCC(O)CC(O)=O
InChI Key: POMQYTSPMKEQNB-UHFFFAOYSA-N
InChI: 1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
Lipid Maps code: LMFA02000121
|
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. |