PMG Aspergillus nidulans metabolite library v.01 (Last update 05/10/17)
Showing iCard for Xanthine (3TMS) (PMG000028)
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Mass spectrum (Rel abundance vs m/z) |
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Peaks |
( 73 1000) (147 491) (279 284) (280 115) (294 507) (295 187) (296 91) (354 639) (356 85) (369 376)
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Average Retention time (min) |
32.81
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Quant mass (Da) |
353
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Common Name |
Xanthine
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Structure |
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Synonym(s) |
2,6-Dioxopurine; 1H-Purine-2,6-diol; 9H-Purine-2,6-diol; Dioxopurine; Isoxanthine
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KEGG ID |
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Golm Metabolome Database ID |
A201014
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PubChem CID |
3675
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CAS Registry Number |
69-89-6
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Biosynthetic pathways (KEGG) |
map00230Purine metabolism map01065Biosynthesis of alkaloids derived from histidine and purine
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Monoisotopic mass (Da) |
152.0333
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Average Molecular Mass (Da) |
152.1109
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Molecular Formula |
C5H4N4O2
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Chemical group |
Nucleic acids, nucleotides and nucleosides; Purine nucleosides
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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