Appendix D Overview of methods applied in round 1-4 Table S3.1 Analytical techniques applied in round 1 °C) Temperatures ( Lab Instrument R1 Column Gas Calibration & Type Oven program3 quantification method5 Flow volume MS rate4 (µL) (mL/min) 001 Magnetic 1 90 (1min), 20/min to 140 0.9 Internal, Rxi-5MS Sector 245, 50/min to 300 own standards: Tomy et al. (5min) [2] 003 GC-ECNI-LRMS 3 120 (2min), 50/min to 150 1.8 External, DB-5MS 325 (3min) own standards 004 GC-ECNI-LRMS 2 90 (1min), 120 /min to 150 1.5 Internal, linear, Rtx-200 140, 15 /min to 320 provided standard [a] (10min) and own standards [b] 007 GC-ToF-EI-MS 2 100 (5min), 20 /min to 300 1.0 Internal, linear 7000 DB-5MS 300, (10min) 008 GC-ECNI-LRMS 2 105 (1min), 34 /min to 200 0.9 Internal, Castells et al.[3], 1000 190 (1min), 8/min to provided standard [a] 250, 40/min to 290 own standards [b] (8min) 009 GC-ECNI-LRMS 1 100 (10min), 10/min to 230 NA Internal, linear forced 1000 Rtx-1614 260 (30min) through zero 010 GC-ECNI-LRMS 1 100 (1min), 15/min to 150 1 Internal, Tomy et al. [2] 1000 DB-5MS 25 280 (10min), 10/min to 300 (10min) 011 GC-EI-MS/MS 10 110 (2min), 40/min to 220 1 External, linear Restek 200, 10/min to 260, 20/min to 290°C
Appendix D Overview of methods applied in round 1-4 Table S3.1 Analytical techniques applied in round 1 Lab Instrument R1 Column Type volume (µL) Temperatures ( °C) Oven program3 MS Gas Flow rate4 (mL/min) Calibration & quantification method5 001 Magnetic Sector Rxi-5MS 1 90 (1min), 20/min to 245, 50/min to 300 (5min) 140 0.9 Internal, own standards: Tomy et al. [2] 003 GC-ECNI-LRMS DB-5MS 3 120 (2min), 50/min to 325 (3min) 150 1.8 External, own standards 004 GC-ECNI-LRMS Rtx-200 2 90 (1min), 120 /min to 140, 15 /min to 320 (10min) 150 1.5 Internal, linear, provided standard [a] and own standards [b] 007 GC-ToF-EI-MS 7000 DB-5MS 2 100 (5min), 20 /min to 300, (10min) 300 1.0 Internal, linear 008 GC-ECNI-LRMS 1000 2 105 (1min), 34 /min to 190 (1min), 8/min to 250, 40/min to 290 (8min) 200 0.9 Internal, Castells et al.[3], provided standard [a] own standards [b] 009 GC-ECNI-LRMS 1000 Rtx-1614 1 100 (10min), 10/min to 260 (30min) 230 NA Internal, linear forced through zero 010 GC-ECNI-LRMS 1000 DB-5MS 1 100 (1min), 15/min to 280 (10min), 10/min to 300 (10min) 150 1 Internal, Tomy et al. [2] 011 GC-EI-MS/MS Restek 10 110 (2min), 40/min to 200, 10/min to 260, 20/min to 290°C 220 1 External, linear 25
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