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SelectMetabolite Name Metabolite Id Refmet Name Ret. Index Quant. m/z Analysis Display
2-Ethylhexyl phthalate_1 ME105964 Monoethylhexyl phthalic acid 13.67277.1441ESI Negative mode
2-Ethylhexyl phthalate_2 ME105965 Monoethylhexyl phthalic acid 11.5277.1441ESI Negative mode
4-Amino-4-deoxychorismate_1 ME106021 4-Amino-4-deoxychorismic acid 7.74224.0557ESI Negative mode
4-Amino-4-deoxychorismate_2 ME106022 4-Amino-4-deoxychorismic acid 7.76224.0559ESI Negative mode
Bergenin_1 ME106139 Bergenin 8.35327.0722ESI Negative mode
Bergenin_2 ME106140 Bergenin 7.53327.0722ESI Negative mode
Gallate ME106287 Gallic acid 7.81169.0134ESI Negative mode
N-(2,3-Dihydroxybenzoyl)-L-serine_1 ME106410 N-(2,3-Dihydroxybenzoyl)-L-serine 7.62240.0511ESI Negative mode
N-(2,3-Dihydroxybenzoyl)-L-serine_2 ME106411 N-(2,3-Dihydroxybenzoyl)-L-serine 1.1240.0525ESI Negative mode
Quinate ME106514 Quinic acid 4.04191.0552ESI Negative mode
2-Ethylhexyl phthalate_1 ME104288 Monoethylhexyl phthalic acid 14.83279.1589ESI Positive mode
2-Ethylhexyl phthalate_2 ME104289 Monoethylhexyl phthalic acid 13.66279.1589ESI Positive mode
2-Ethylhexyl phthalate_3 ME104290 Monoethylhexyl phthalic acid 9.74279.159ESI Positive mode
2-Ethylhexyl phthalate_4 ME104291 Monoethylhexyl phthalic acid 11.38279.1589ESI Positive mode
3-Dehydroquinate_1 ME104371 3-Dehydroquinate 2.64191.055ESI Positive mode
3-Dehydroquinate_2 ME104372 3-Dehydroquinate 4.01191.055ESI Positive mode
4-Amino-4-deoxychorismate_1 ME104440 4-Amino-4-deoxychorismic acid 7.7226.071ESI Positive mode
4-Amino-4-deoxychorismate_2 ME104441 4-Amino-4-deoxychorismic acid 2.23226.0717ESI Positive mode
4-Amino-4-deoxychorismate_3 ME104442 4-Amino-4-deoxychorismic acid 8.75226.071ESI Positive mode
4-Hydroxybenzoate ME104470 4-Hydroxybenzoic acid 9.57139.0392ESI Positive mode
4-Hydroxyphenylacetate_1 ME104475 4-Hydroxyphenyl acetate 9.11153.0548ESI Positive mode
4-Hydroxyphenylacetate_2 ME104476 4-Hydroxyphenyl acetate 7.66153.0548ESI Positive mode
Aromatic aldehyde_1 ME104693 Benzaldehyde 8.12107.0496ESI Positive mode
Aromatic aldehyde_2 ME104694 Benzaldehyde 7.14107.0496ESI Positive mode
Benzoate_1 ME104725 Benzoic acid 3.52123.0444ESI Positive mode
Benzoate_2 ME104726 Benzoic acid 7.17123.0439ESI Positive mode
Benzyl alcohol_1 ME104733 Benzyl alcohol 8.42109.0653ESI Positive mode
Benzyl alcohol_2 ME104734 Benzyl alcohol 10.9109.0653ESI Positive mode
Bufferin ME104768 Aspirin 6.99400.0324ESI Positive mode
Hippurate ME105162 Hippuric acid 8.04180.0658ESI Positive mode
Homogentisate_1 ME105167 Homogentisic acid 7.59169.0496ESI Positive mode
Homogentisate_2 ME105168 Homogentisic acid 2.12169.0494ESI Positive mode
Homogentisate_3 ME105169 Homogentisic acid 5.7169.0493ESI Positive mode
Phenol ME105583 Phenol 8.0695.0497ESI Positive mode
Phthalate_1 ME105608 Phthalic acid 13.66167.034ESI Positive mode
Phthalate_2 ME105609 Phthalic acid 16.82167.034ESI Positive mode
Shikimate_1 ME105728 Shikimic acid 8.72175.0598ESI Positive mode
Shikimate_2 ME105729 Shikimic acid 1.66175.0603ESI Positive mode
Vanillyl alcohol_1 ME105864 4-Hydroxy-3-methoxybenzenemethanol 8.48155.0704ESI Positive mode
Vanillyl alcohol_2 ME105865 4-Hydroxy-3-methoxybenzenemethanol 7.13155.0704ESI Positive mode


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