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. Author manuscript; available in PMC: 2024 Feb 13.
Published in final edited form as: Environ Int. 2023 Jul 24;178:108112. doi: 10.1016/j.envint.2023.108112

Table 3.

T3DB-annotated m/z features higher in T2 serum of women who subsequently developed breast cancer (BC) compared with non-cases (p < 0.05).

Feature Name m/z RT (sec) % Higher in BC Category
F1* 4-Hydroxyretinoic acid 315.1957 177 20 Vitamin A metabolite
F2* Unidentified 334.2090 125 20 Unidentified
F3* 2-Nitromethylene-piperidine 141.0670 278 10 Insecticide
F4* 2,4-Dinitrophenol 183.0046 283 10 Multiple commercial uses
F5* Oxalic Acid 88.9883 129 10 Cleaning agent
F6* N-acetyl-proline 156.0666 283 10 Endogenous metabolite
F7* Unidentified 345.0777 51 20 Unidentified
F8 Unidentified 225.0712 139 30 Unidentified
F9 Quaternium-52 610.4093 195 20 Quaternary ammonium salt
F10 Ethyl cyanoacrylate 124.0404 14 10 Cyanoacrylate glue component
F11 2-Chloro-4,5-xylyl N-hydroxy-N-methylcarbamate 228.0427 284 10 Cholinesterase inhibitor
F12 Psoralen, Angelicin 167.0135 20 20 Skin nodule treatment,
F13 Hexazinone 273.1344 32 10 Herbicide
F14 MHP (Methyl hydrogen phthalate) 179.0350 138 10 Organic compound
F15 2-Hydroxyphenyl methylcarbamate 166.0508 212 10 Pesticide
F16 Levodopa (also exists as natural product) 178.0510 23 20 Dopamine precursor drug
F17 Phenylmercuric acetate 337.0157 22 20 Preservative
(*)

Targeted mass spectrometry analysis was performed to aid in identification of features F1 to F7 which were found to occur in central communities of Fig. 1, indicated by asterisk.

T3DB annotations are provided for others (F8-F17).