Table S3: Mass-to-charge-ratio (m/z) of PBDEs and musk fragrances determined by GC-MS by electron impact ionisation (EI) and negative chemical ionisation (NCI). MW: molecular weight. TI: target ion., Q1: qualifier 1. Q2: qualifier 2. A compound was identified by comparison of the TI/Q ratios in the sample and calibration standards (average value) with a tolerance of +/- 20 %. IS: internal standard used for correction.
EI mode
NCI mode
Analyte
MW
TI
Q1
Q2
TI
Q1
Q2
IS
13C HCB
291
290
255
-
290
256
-
-
ADBI
244
229
244
173
-
-
-
AHTN D13
AHMI
244
229
244
187
-
-
-
AHTN D13
MX D15
294
294
248
-
-
-
-
-
HHCB
258
243
213
258
-
-
--
AHTN D13
ATII
258
215
173
258
-
-
-
AHTN D13
AHTN D13
271
246
261
-
-
-
-
-
MX
297
282
297
-
-
-
-
MX D15
AHTN
258
243
258
159
-
-
-
AHTN D13
MK
294
279
294
128
-
-
-
MX D15
Fluoranthene D10
212
212
106
-
212
211
-
-
BDE28
407
248
408
139
327
328
326
13C BDE28
13C BDE28
419
260
418
150
339
337
338
-
13C BDE47
498
338
498
228
417
419
415
-
BDE47
486
326
486
406
407
405
404
13C BDE47
BDE100
565
404
564
484
405
403
484
13C BDE99
13C BDE99
577
416
576
496
417
415
496
-
BDE99
565
404
564
484
405
403
484
13C BDE99
BDE154
644
484
644
404
564
562
563
13C BDE153
13C BDE153
656
496
656
416
496
494
498
-
BDE153
644
484
644
404
564
562
563
13C BDE153
13C BDE183
734
574
734
414
574
576
572
-
BDE183
722
562
724
484
564
562
484
13C BDE183
13C BDE209
972
-
-
-
495
497
-
-
BDE209
960
-
-
-
487
489
485
13C BDE209
Table S4: Mass-to-charge-ratio (m/z) of semi-volatile PFCs determined by GC-MS. MW: molecular weight. TI: target ion. Q: qualifier. PCI: positive chemical ionisation. NCI: negative chemical ionisation. IS: internal standard used for correction.
Analyte
MW
TI
Q1 (PCI)
Q2 (NCI)
IS
4:2 FTOH
264
265.0
227.0
-
13C 6:2 FTOH
6:2 FTOH
364
365.0
327.0
-
13C 6:2 FTOH
8:2 FTOH
464
465.0
493.1
-
13C 8:2 FTOH
10:2 FTOH
564
565.0
527.0
-
13C 10:2 FTOH
12:2 FTOH
664
665.1
627.0
-
13C 10:2 FTOH
6:2 FTA
418
419.0
447.1
-
13C 6:2 FTOH
8:2 FTA
518
519.1
547.1
-
13C 8:2 FTOH
10:2 FTA
618
619.1
647.1
-
13C 10:2 FTOH
EtFOSA
527
528.0
508.0
507.0
EtFOSA D5
EtFOSE
571
554.0
572.1
508.0
EtFOSE D9
MeFOSA
513
514.0
494.0
493.0
MeFOSA D3
MeFOSE
557
540.0
558.0
494.0
MeFOSE D7
MeFBSA
313
314.0
294.0
292.9
MeFOSA D3
MeFBSE
357
340.0
358.0
293.2
MeFOSE D7
Me2FOSA
527
528.0
444.0
483.0
13C 8:2 FTOH
PFOSA
499
500.0
381.0
478.9
EtFOSE D9
Table S5: Mass-to-charge-ratio (m/z) of mother and product ions of ionic PFCs determined by HPLC-MS/MS.