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. Author manuscript; available in PMC: 2025 Feb 20.
Published in final edited form as: Sci Total Environ. 2023 Dec 22;912:169458. doi: 10.1016/j.scitotenv.2023.169458

Table 2:

Summary of select under-reported exogenous chemicals detected in our pregnancy cohort (level 1 or 2 confidence). The rest of the chemicals identified as ‘Natural Product’ is provided in SI.

Chemical name DTXSID Source(s) Confidence
level		 Chemical formula Monoisotopic
mass		 RT
(min)		 Number
of
Features		 Cord
samples
detected
(%)		 Maternal
sample
detected
(%)
Benzothiazolone DTXSID6061315 Food additive 2 C7H5NOS 151.01 6.08 1 48 74
2-Hydroxybenzophenone DTXSID5047879 Food Packaging and Sunscreens 2 C13H10O2 198.07 7.42 1 3 8
N-Cyclohexyl-2-benzothiazol-amine DTXSID50891506 Industry 2 C13H16N2S 232.1 11.72 1 1 1
N-Ethyl-4-menthane-3-carboxamide DTXSID5047039 Food additive 1 C13H25NO 211.19 10.33 1 2 6
4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] DTXSID9047598 Industry 1 C18H18O4S 330.09 9.01 1 21 20
CI-1044 DTXSID5047291 Anti-inflammation agent 1 C23H19N5O2 397.16 5.47 1 18 38
3-Methyl-4,6-di-tert-butylphenol DTXSID1041502 Hydrocarbon-based products 2 C15H24O 220.18 14.68 1 50 45
tert-Butyric acid DTXSID0061450 Oral Care Products 2 C6H12O2 116.08 3.45 1 100 97
Valine betaine * Dietary Supplement 2 C8H17NO2 159.13 3.99 1 34 41
Chrysanthemic Acid DTXSID30871866 Insecticide 2 C10H16O2 168.12 7.01 1 100 100
(1s,5s)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one DTXSID30354301 Organic Compound Synthesis 2 C9H16N2O 168.12 13.23 1 54 91
2-(1H-indol-3-yl)propanoic acid * Organic Compound Synthesis 2 C11H11NO2 189.08 3.78 1 99 99
1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl- DTXSID5022483 Industry 2 C13H20O2 208.15 8.75 1 10 29
Cyclo(Leu-Pro) DTXSID40218965 Food Additive 2 C11H18N2O2 210.14 4.81 1 100 100
tetradec-5-ynoic acid DTXSID1047152 Organic Compound Synthesis 2 C14H24O2 224.18 12.05 1 100 100
Hydroxypestalotin DTXSID40242028 Fungus Metabolite 2 C11H18O5 230.11 3.52 1 17 16
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid DTXSID4041654 Organic Compound Synthesis 2 C15H22O2 234.16 11.96 1 100 98
(1R,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid * Bile Acid 2 C20H30O2 302.22 13.15 1 100 100
Pyrenophorol DTXSID30448991 Fungi 2 C16H24O6 312.15 5.91 1 100 100
(4aR,5aS,9R)-9-ethynyl-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,9-diol * Unknown 2 C21H30O3 330.22 8.48 1 100 83
Lithocholic acid DTXSID70859365 Secondary Bile Acid 1 C24H40O3 376.30 13.74 1 48 68
Azithromycin (Zithromax) * Pharmaceutical 2 C38H72N2O12 748.51 9.67 1 3 2
N-Phenyldiethanolamine DTXSID5021962 hair coloring agent, resin 1 C10H15NO2 181.11 5.6-6.6 2 2-100 5-98
6,7-dimethoxy-2,2-dimethyl-2h-1-benzopyran DTXSID9060942 insecticide 2 C13H16O3 220.11 10.70 1 2 9
Tridecanedioic acid DTXSID9021683 nylon production 1 C13H24O4 244.17 6.03 1 71 97
9-stearolic acid DTXSID90198647 Fatty Acid 2 C18H32O2 318.19 4.89 1 67 38
Tetrahydro-3-pentyl-2H-pyran-4-yl acetate DTXSID7044556 Cosmetics 2 C12H22O3 214.15 8.55 1 >99 100
* -

Chemicals did not contain DTXSID information because they were not registered to the dashboard.