PMG Aspergillus nidulans metabolite library v.01 (Last update 05/10/17)
Showing iCard for Fumaric acid (2TMS) (PMG000010)
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Mass spectrum (Rel abundance vs m/z) |
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Peaks |
( 53 20) ( 54 11) ( 55 9) ( 59 16) ( 61 16) ( 66 5) ( 69 12) ( 73 249) ( 74 30) ( 75 130) ( 76 11) ( 83 53) ( 84 24) ( 98 6) ( 99 6) (113 9) (115 40) (127 17) (128 7) (133 51) (143 106) (145 6) (147 286) (148 46) (149 43) (155 26) (156 4) (157 17) (170 7) (171 10) (217 14) (245 1000) (246 210) (247 99)
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Average Retention time (min) |
17.51
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Quant mass (Da) |
245
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Common Name |
Fumaric acid
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Structure |
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Synonym(s) |
Fumarate; (e)-2-Butenedioate; Allomaleate; Allomaleic acid; Boletate; Boletic acid
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KEGG ID |
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Golm Metabolome Database ID |
A137001
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PubChem CID |
444972
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CAS Registry Number |
110-17-8
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Biosynthetic pathways (KEGG) |
map00020Citrate cycle (TCA cycle) map00190Oxidative phosphorylation map00220Arginine biosynthesis map00250Alanine, aspartate and glutamate metabolism map00350Tyrosine metabolism map00360Phenylalanine metabolism map00620Pyruvate metabolism map00643Styrene degradation map00650Butanoate metabolism map00760Nicotinate and nicotinamide metabolism map01061Biosynthesis of phenylpropanoids map01062Biosynthesis of terpenoids and steroids map01063Biosynthesis of alkaloids derived from shikimate pathway map01064Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid map01065Biosynthesis of alkaloids derived from histidine and purine map01066Biosynthesis of alkaloids derived from terpenoid and polyketide
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Monoisotopic mass (Da) |
116.0110
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Average Molecular Mass (Da) |
116.0722
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Molecular Formula |
C4H4O4
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Chemical group |
Carboxylic acids
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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