Characterization of low molecular weight dissolved natural organic matter along the treatment trait of a waterworks using Fourier transform ion cyclotron resonance mass spectrometry

Zhang, Haifeng; Zhang, Yahe; Shi, Quan; Ren, Shuoyi; Yu, Jianwei; Ji, Feng ShiFeifei; Luo, Wenbin; Yang, Min

doi:10.1016/j.watres.2012.07.004

Cited by 162 publications

(137 citation statements)

References 42 publications

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“…However, the unit mass resolution of tqMS is still too low to allow nominally isobaric ions to be massresolved and may bias the compositional interpretation of I-DBPs. Recently, ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has been successfully used to characterize the previously unknown Cl-DBPs and Br-DBPs (Zhang et al, 2012a;Zhang et al, 2012b;Lavonen et al, 2013;Zhang et al, 2014). The ultrahigh resolution and mass accuracy of FT-ICR MS combined with electrospray ionization (ESI) allows the determination of unambiguous and exact molecular formulas (Stenson et al, 2003;Kim et al, 2006aKim et al, , 2006bHertkorn et al, 2008).…”

Section: Introductionmentioning

confidence: 99%

Characterization of unknown iodinated disinfection byproducts during chlorination/chloramination using ultrahigh resolution mass spectrometry

Wang

Zhang

et al. 2016

Science of The Total Environment

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Section: Introductionmentioning

confidence: 99%

Characterization of unknown iodinated disinfection byproducts during chlorination/chloramination using ultrahigh resolution mass spectrometry

Wang

Zhang

et al. 2016

Science of The Total Environment

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“…Because of the extremely complex nature of NOM, molecular ions of NOM and their chlorinated (or brominated) products could be present at almost every nominal mass, and mass differences of isobaric ions of NOM and chlorinated (or brominated) DBPs could be as low as 36.4 mDa, 15.3 mDa, or even lower (as shown in the Supporting Information, Table S1). 12,13 Therefore, unit resolution product ion scans may include several isobaric parent ions and bias the compositional interpretation of single brominated compounds.…”

Section: ■ Introductionmentioning

confidence: 99%

“…12,13,20 The ultrahigh resolution and mass accuracy of FT-ICR MS provides molecular masses accurate to within 1 ppm, which often enables the determination of molecular formulas by mass measurement alone. 14,15,21 In our previous studies, molecular formulas of chlorine-containing DBPs have been identified with negative ion electrospray ionization (ESI) FT-ICR MS in both artificial and actual drinking water samples.…”

Section: ■ Introductionmentioning

confidence: 99%

“…14,15,21 In our previous studies, molecular formulas of chlorine-containing DBPs have been identified with negative ion electrospray ionization (ESI) FT-ICR MS in both artificial and actual drinking water samples. 12,13 It is thus anticipated that the ESI FT-ICR MS method could also be suitable for detecting unknown polar Br-DBPs and identifying their molecular formulas. Furthermore, on-resonance collisioninduced dissociation (CID) of single ultrahigh resolved mass peaks in the ICR cell allows us to perform MS−MS fragmentation of Br-DBP with identical mass formulas, 22 which could help in better proposing structures of unknown Br-DBPs in a very complex NOM matrix.…”

Section: ■ Introductionmentioning

confidence: 99%

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Characterization of Unknown Brominated Disinfection Byproducts during Chlorination Using Ultrahigh Resolution Mass Spectrometry

Zhang

Shi

et al. 2014

Environ. Sci. Technol.

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104

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Brominated disinfection byproducts (Br-DBPs), formed from the reaction of disinfectant(s) with natural organic matter in the presence of bromide in raw water, are generally more cytotoxic and genotoxic than their chlorinated analogues. To date, only a few Br-DBPs in drinking water have been identified, while a significant portion of Br-DBPs in drinking water is still unknown. In this study, negative ion electrospray ionization ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) was used to characterize unknown Br-DBPs in artificial drinking water. In total, 441 formulas for one-bromine-containing products and 37 formulas for two-bromine-containing products, most of which had not been previously reported, were detected in the chlorinated sample. Most Br-DBPs have corresponding chlorine-containing analogues with identical CHO composition. In addition, on-resonance collisioninduced dissociation (CID) of single ultrahigh resolved bromine containing mass peaks was performed in the ICR cell to isolate single bromine-containing components in a very complex natural organic matter spectrum and provide structure information. Relatively abundant neutral loss of CO 2 was observed in MS−MS spectra, indicating that the unknown Br-DBPs are rich in carboxyl groups. The results demonstrate that the ESI FT-ICR MS method could provide valuable molecular composition and structure information on unknown Br-DBPs. ■ INTRODUCTIONDuring disinfection treatment of drinking water, naturally occurring bromide present in source water can be rapidly oxidized by chlorine to hypobromous acid (HOBr), which has been noted to be more powerful in reacting with natural organic matter (NOM) to form disinfection byproducts (DBPs) than hypochlorous acid (HOCl). 1−3 Toxicological studies have shown that brominated DBPs (Br-DBPs) are generally more cytotoxic and genotoxic than their chlorinated analogues. 4−7 For example, bacterial studies have shown that bromoacetic acid is approximately 20 times more cytotoxic and 200 times more mutagenic in Salmonella typhimurium strain TA100 than chloroacetic acid. 6 Mammalian cell studies have shown that bromoacetic acid is 90 times more cytotoxic and 25 times more genotoxic in Chinese hamster ovary cells than chloroacetic acid. 6 Identifying and controlling Br-DBPs have thus been important issues in securing drinking water safety.To date, approximately 110 Br-DBPs have been reported as drinking water DBPs, most of which were identified by gas chromatography/mass spectrometry (GC−MS) with or without derivatization. 6,8−10 Even with derivatization, however, GC−MS generally is not amenable to the detection of polar/ highly polar Br-DBPs. Zhang et al. 11 have recently developed the precursor ion scan (PIS) method using electrospray ionization-triple quadrupole mass spectrometry (ESI-tqMS) for fast selective detection of polar/highly polar Br-DBPs. In this method, precursor ion scans of m/z 79 and 81 were used to selectively detect the Br-DBPs, and product ion scan...

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“…[3][4][5][6][7] Up to now, more than one thousand disinfection by-products (DBPs) have been reported in the literature, most of which are chlorinated DBPs. 8,9 Of these reported DBPs, only a small percentage have been quantied in drinking waters, and even less have been regulated. 10, 11 In comparison with the regulated DBPs like trihalomethanes (THMs) and haloacetic acids (HAAs), the emerging DBPs including I-THMs, HNMs and HANs are in general, present in drinking water at a much lower level.…”

Section: Introductionmentioning

confidence: 99%

Occurrence, profiling and prioritization of halogenated disinfection by-products in drinking water of China

Ding

Meng

Zhang

et al. 2013

Environ. Sci.: Processes Impacts

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The occurrence of 28 disinfection by-products (DBPs), which were divided into 5 groups, in 70 drinking water treatment plants in 31 cities across China was investigated, and the toxic potency of each DBP group was calculated using mammalian cell toxicity data from previous studies for profiling. Of the 28 DBPs, 21 were detected with an average frequency of detection of 50%. Trihalomethanes (THM4) and haloacetic acids (HAAs) were the most predominant species, whose median concentration levels were at 10.53 and 10.95 mg L À1 , respectively. Two of four iodinated trihalomethanes (I-THMs) were detected, and the concentration of the I-THMs ranged from under the detection limit to 5.58 mg L À1 . The total concentration of haloacetonitriles (HANs) in different water samples ranged from under the limit of detection to 39.20 mg L À1 , with a median concentration of 1.11 mg L À1 . Two of four halonitromethanes (HNMs) were detected, and the maximum concentrations of chloronitromethane (CNM) and trichloronitromethane (TCNM) were 0.96 and 0.28 mg L À1 , respectively. HANs were found to be the most potent DBP group in terms of cytotoxicity, and HANs and HAAs had the same level of genotoxic potency. These results indicate that although at a low concentration level, the toxic potency of the unregulated HANs in drinking water may not be neglected. Environmental impactIdentication and control of disinfection by-products (DBPs) have long been major issues for securing drinking water safety. The occurrence patterns of 28 DBPs, including the regulated trihalomethanes (THMs), haloacetic acids (HAAs), and the emerging iodinated trihalomethanes (I-THMs), haloacetonitriles (HANs) and halonitromethanes (HNMs), in the nished water of 70 water treatment plants across 31 cities in China were revealed for the rst time. Prioritization of the DBP groups was performed using mammalian cell toxicity data from previous studies. HANs were found to be the most potent DBP group in terms of cytotoxicity and genotoxicity.

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Characterization of low molecular weight dissolved natural organic matter along the treatment trait of a waterworks using Fourier transform ion cyclotron resonance mass spectrometry

Cited by 162 publications

References 42 publications

Characterization of unknown iodinated disinfection byproducts during chlorination/chloramination using ultrahigh resolution mass spectrometry

Characterization of unknown iodinated disinfection byproducts during chlorination/chloramination using ultrahigh resolution mass spectrometry

Characterization of Unknown Brominated Disinfection Byproducts during Chlorination Using Ultrahigh Resolution Mass Spectrometry

Occurrence, profiling and prioritization of halogenated disinfection by-products in drinking water of China

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