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. 2020 Jan 22;10:994. doi: 10.1038/s41598-020-57816-y

Table 1.

Putatively identified compounds (based on queries against NIST EI database) of GC-MS analyzed Milli-Q water (H2O) conditioned or not with PDMS devices prepared from various pre-polymer:curing agent ratios (20:1, 15:1, and 10:1) fabricated from either 3D-printed (3D) or SU-8 (SU-8) molds with their retention time (RT) and similarity score (SI).

Mold Sample RT (min) SI* Compound Origin m/z spectra
3D 10:01 4.216 447 N-Benzenesulfonylazetidin-3-one Polyethylene Supp. Fig. 1
4.332 458 (2,3-Diphenylcyclopropyl)methyl phenyl sulfoxide Unknown Supp. Fig. 2
4.582 434 4-Phenylbutan-2-ol, tert-butyldimethylsilyl ether Unknown** Supp. Fig. 3
5.997 715 Fumaronitrile Plastic monomer Supp. Fig. 4
10.176 636 1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethyl-hexasiloxane PDMS oligomer Supp. Fig. 5
15:01 6.214; 11.908; 28.392 548; 640;635 1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethyl-hexasiloxane PDMS oligomer Supp. Fig. 6
6.597 826 Toluene PDMS curing agent Supp. Fig. 7
5.947 459 2-Cyanosuccinonitrile Unknown Supp. Fig. 8
4.299 504 4-(4-chlorobenzylideno)-3-methyl-1-phenyl-pyrazol-5(4 H)-one Unknown Supp. Fig. 9
4.166 409 2,2,2-Trichloroethanol, methyl ether Unknown Supp. Fig. 10
20:01 6.214 615 1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethylhexasiloxane PDMS oligomer Supp. Fig. 11
15.887; 24.446 702; 615 Dodecamethylcyclohexasiloxane PDMS oligomer Supp. Fig. 12
11.192 800 Octamethyltetrasiloxane PDMS oligomer Supp. Fig. 13
10.143 632 Methyl N-hydroxybenzenecarboximidoate Fungicide** Supp. Fig. 14
7.179 933 Dimethylsilanediol Degradation of silicones** Supp. Fig. 15
SU-8 10:01 12.341 660 1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-Hexadecamethyl-octasiloxane PDMS oligomer Supp. Fig. 16
5.731 529 4-Methyl-2-trimethylsilyloxy-trimethylsilyl ester benzoic acid Unknown Supp. Fig. 17
4.332 419 (2-Benzyl-benzoimidazol-1-yl)-propane-1,2-diol Unknown Supp. Fig. 18
4.099 410 Pyrazol-5(4 H)-one, 4-(4-chlorobenzylideno)-3-methyl-1-phenyl Unknown Supp. Fig. 19
15:01 29.574 673 1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethyl-hexasiloxane PDMS oligomer Supp. Fig. 20
8.944 671 Octamethyl-cyclotetrasiloxane PDMS oligomer Supp. Fig. 21
5.514 741 4-Methoxybenzyl alcohol Catalyst Supp. Fig. 22
5.365 594 4,6-Heptadiyn-3-one Unknown Supp. Fig. 23
4.416 510 2-(Chloroethenyl)-1,3-butadiene Unknown Supp. Fig. 24
4.266 573 (Chloromethyl)dimethyl-phosphine oxide Unknown Supp. Fig. 25
4.149 573 2-Chloro-ethanesulfonyl chloride Epoxy resin component Supp. Fig. 26
20:01 13.457 676 1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethyl-hexasiloxane PDMS oligomer Supp. Fig. 27
6.014 690 1,1,3,3,5,5,7,7-Octamethyl-7-(2-methylpropoxy)tetrasiloxan-1-ol PDMS oligomer Supp. Fig. 28
4.449 525 Chalcone Epoxy resin component Supp. Fig. 29
4.366 454 4-(4-Chlorobenzylideno)-3-methyl-1-phenyl-pyrazol-5(4 H)-one Unknown Supp. Fig. 30

*SI was calculated based on EI peak matching of the experimental data against the NIST EI database.

**indicates compounds also detected in water (control samples).