PMG Aspergillus nidulans metabolite library v.01 (Last update 05/10/17)
Showing Card for Pantothenic acid (3TMS) (PMG000024)
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Mass spectrum (Rel abundance vs m/z) |
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Peaks |
( 55 51) ( 59 49) ( 73 792) ( 74 63) ( 75 222) ( 98 50) (101 21) (103 592) (104 71) (115 36) (116 30) (117 382) (129 106) (130 56) (131 48) (133 55) (143 63) (144 74) (146 29) (147 158) (148 32) (149 26) (157 403) (158 53) (159 181) (201 251) (203 28) (217 71) (247 370) (248 106) (249 39) (261 113) (291 1000) (292 237) (293 95) (330 40) (420 263) (421 103)
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Average Retention time (min) |
32.28
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Quant mass (Da) |
291
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Common Name |
Pantothenic acid
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Structure |
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Synonym(s) |
Pantothenate; (R)-Pantothenate
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KEGG ID |
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Golm Metabolome Database ID |
A200006
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PubChem CID |
4121
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CAS Registry Number |
79-83-4
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Biosynthetic pathways (KEGG) |
map00410beta-Alanine metabolism map00770Pantothenate and CoA biosynthesis
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Monoisotopic mass (Da) |
219.1107
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Average Molecular Mass (Da) |
219.2350
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Molecular Formula |
C9H17NO5
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Chemical Group |
Carboxylic acids; Vitamins
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Analyzer |
Agilent 6890 MS platform; 5973 series mass selective detector (MSD); 7683 autosampler
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Carrier gas |
Helium |
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Flow rate |
1 mL min-1
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Column |
HP-5MS, length; 30 m, i.d.; 0.25 mm, film thickness 0.25 μm, Agilent Technologies Inc.
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Ionization |
Electron Impact (EI), Positive
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Mass range |
50-800 Da
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Injector |
10:1 split mode; temperature of 230oC
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Oven temperature |
70oC stable 5 min; 5oC min-1 increase to 295oC; stable 2 min
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Curator(s): I. KALAMPOKIS, Dr KA ALIFERIS