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Table 1 Parameters of phthalate metabolites and phthalic acid for orbitrap mass spectrometry quantification

From: Within-person reproducibility of urinary bisphenol A and phthalate metabolites over a 1 to 3 year period among women in the Nurses’ Health Studies: a prospective cohort study

Compound name

Ionization mode

m/z

tR(minutes)

LOD (ng/mL)

Monoethyl phthalate (MEP)

-ESI

193.05008

6.9

2

Mono-n-butyl phthalate (MnBP)

-ESI

221.08138

10.8

0.4

Monoisobutyl phthalate (MiBP)

-ESI

221.08138

10.7

0.3

Monobenzyl phthalate (MBzP)

-ESI

255.06573

11.4

0.1

Mono-2-ethylhexyl phthalate (MEHP)

-ESI

277.14398

12.8

0.5

Mono-(2-ethyl-5-hydroxyhexyl) phthalate (MEHHP)

-ESI

293.13890

10.5

0.1

Mono-(2-ethyl-5-oxohexyl) phthalate (MEOHP)

-ESI

291.12325

10.8

0.2

Mono-(2-ethyl-5-carboxy-pentyl) phthalate (MECPP)

-ESI

307.11816

10.6

0.2

Phthalic acid (PA)

-ESI

165.01858

2.63

0.1

Internal standards

    

13C4- MEP

-ESI

197.06350

6.9

 

13C4- MnBP

-ESI

225.09480

10.8

 

13C4- MBzP

-ESI

259.07915

11.4

 

13C4- MEHP

-ESI

281.15740

12.8

 

13C4- MEOHP

-ESI

295.13666

10.8

 

PA-d4

-ESI

169.04398

2.63

 
  1. Abbreviations: --ESI negative electrospray ionization, LOD limit of detection, m/z mass-to-charge ratio, t R retention time.