PMG Aspergillus nidulans metabolite library v.01 (Last update 05/10/17)
Showing Card for Stearic acid (TMS) (PMG000026)
|
Mass spectrum (Rel abundance vs m/z) |
|
|
Peaks |
( 55 141) ( 56 49) ( 57 97) ( 69 62) ( 73 575) ( 75 376) ( 95 45) ( 97 47) (116 63) (117 697) (118 83) (129 355) (131 85) (132 430) (133 72) (145 300) (341 1000) (342 294) (343 90)
|
|
Average Retention time (min) |
36.44
|
|
Quant mass (Da) |
341
|
|
Common Name |
Stearic acid
|
|
Structure |
|
|
Synonym(s) |
Octadecanoic acid; Stearate
|
|
KEGG ID |
|
|
Golm Metabolome Database ID |
A225002
|
|
PubChem CID |
5281
|
|
CAS Registry Number |
57-11-4
|
|
Biosynthetic pathways (KEGG) |
map00061Fatty acid biosynthesis map01040Biosynthesis of unsaturated fatty acids
|
|
Monoisotopic mass (Da) |
284.2715
|
|
Average Molecular Mass (Da) |
284.4772
|
|
Molecular Formula |
C18H36O2
|
|
Chemical Group |
Fatty acyls; Fatty acids and conjugates
|
|
Analyzer |
Agilent 6890 MS platform; 5973 series mass selective detector (MSD); 7683 autosampler
|
|
Carrier gas |
Helium |
|
Flow rate |
1 mL min-1
|
|
Column |
HP-5MS, length; 30 m, i.d.; 0.25 mm, film thickness 0.25 μm, Agilent Technologies Inc.
|
|
Ionization |
Electron Impact (EI), Positive
|
|
Mass range |
50-800 Da
|
|
Injector |
10:1 split mode; temperature of 230oC
|
|
Oven temperature |
70oC stable 5 min; 5oC min-1 increase to 295oC; stable 2 min
|
Curator(s): M. LYKOGIANNI, Dr KA ALIFERIS