www.chrombox.org

SOH-771 / 10:0-3OH / 3-Hydroxydecanoic acid ME

Names: Methyl 3-hydroxydecanoate;  3-Hydroxydecanoic acid methyl ester;  3-Hydroxycapric acid methyl ester

Formula: C11H22O3

Molar mass: 202.293 Da

Monoisotopic mass: 202.157 Da

SMILES: CCCCCCCC(CC(=O)OC)O

InChI Key: UBVACUZVNTVHTE-UHFFFAOYSA-N

InChI: 1S/C11H22O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h10,12H,3-9H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 15.308
- ECL on BP20: 14.624

Non-derivatized:

Names: 3-Hydroxydecanoic acid;  3-Hydroxycapric acid

Formula: C10H20O3

Molar mass: 188.266 Da

SMILES: CCCCCCCC(O)CC(O)=O

InChI Key: FYSSBMZUBSBFJL-UHFFFAOYSA-N

InChI: 1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)

Lipid Maps code: LMFA01050153



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.