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PMG Aspergillus nidulans metabolite library v.01 (Last update 05/10/17)

Showing iCard for Palmitic acid (TMS) (PMG000025)

 

 

 

Mass spectrum

(Rel abundance vs m/z)

Palmitic acid (TMS)

Peaks

 

( 53    8) ( 54    8) ( 55  129) ( 56   29) ( 57   73)

( 58   14) ( 59   13) ( 60    5) ( 61   26) ( 67   24)

( 68    8) ( 69   58) ( 70   16) ( 71   23) ( 72   21)

( 73  520) ( 74   57) ( 75  406) ( 76   32) ( 77   21)

( 79    9) ( 81   23) ( 82    6) ( 83   38) ( 84   15)

( 85   12) ( 86    7) ( 87    6) ( 89   14) ( 91    6)

( 93    8) ( 95   24) ( 96    5) ( 97   29) ( 98   24)

( 99   12) (105   11) (107    5) (109    8) (111   14)

(115    8) (116   42) (117  657) (118   64) (119   27)

(121    6) (125    3) (129  323) (130   40) (131   82)

(132  343) (133   68) (134   18) (135    5) (143   25)

(145  226) (146   29) (159   22) (171   18) (173    7)

(185   28) (186    5) (187   22) (201   50) (202   10)

(227   12) (243   12) (257    7) (269   46) (270   12)

(285   38) (286   10) (313 1000) (314  254) (315   65)

(316   10) (328   93) (329   24)

 

Average Retention time (min)

 

32.90

 

Quant mass (Da)

 

313

 

 

 

 

 

 

 

Common Name

 

Palmitic acid

 

Structure

 

Palmitic acid

 

Synonym(s)

 

Hexadecanoic acid; Hexadecanoate; Hexadecylic acid; Palmitate; Cetylic acid

 

KEGG ID

 

C00249

 

Golm Metabolome Database ID

 

A205001

 

PubChem CID

 

985

 

CAS Registry Number

 

57-10-3

 

Biosynthetic pathways (KEGG)

map00061Fatty acid biosynthesis map00062Fatty acid elongation map00071Fatty acid degradation map00073Cutin, suberine and wax biosynthesis map01040Biosynthesis of unsaturated fatty acids

 

Monoisotopic mass (Da)

 

256.2402

 

Average Molecular Mass (Da)

 

256.4241

 

 


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