Non-targeted screening and prioritization of emerging pollutants in sewage using direct injection high-resolution mass spectrometry
10.13618/j.issn.1001-5728.2025.03.010
- VernacularTitle:直接进样—高分辨质谱法对污水中新污染物的非靶向筛查及优选
- Author:
Chao ZHANG
1
;
Chang WANG
;
Xiangru YI
;
Jingjing SONG
;
Li YANG
;
Tao WANG
;
ZhiWen WEI
;
Keming YUN
;
Haiyan CUI
;
Fangxing YANG
;
Meng HU
Author Information
1. 山西医科大学,山西晋中 030600;法庭毒物分析公安部重点实验室,山西晋中 030600
- Publication Type:Journal Article
- Keywords:
Emerging pollutants;
Sewage samples;
Direct injection;
High resolution mass spectrometry
- From:
Chinese Journal of Forensic Medicine
2025;40(3):317-322
- CountryChina
- Language:Chinese
-
Abstract:
Objective To establish a high-throughput non-targeted screening and prioritization method for emerging pollutants(EPs)in sewage using direct injection high-resolution mass spectrometry(HRMS).Methods The sewage samples were filtered by membrane filter and directly subjected to the liquid chromatography-time-of-flight mass spectrometer based on a method modified from our previous study.A C18 chromatographic column was applied for a gradient elution separation,and accurate mass and mass spectral fragment information were obtained through the MS full scan mode and MS/MS DIA data collection mode.After peak detection and alignment,the features from the raw data through open source software MZmine 3,and then high-throughput screening strategies such as MassBank and PubChem databases were used for compound annotation.Finally,the candidate features were confirmed with chemical standards by compared their retention time and mass spectrum fragmentation ion peaks.Results 13 EPs were identified,including 7 industrial chemicals,4 pharmaceuticals,1 pesticide and 1 metabolite.High detection rates were observed for metformin(86.2％),2-hydroxybenzothiazole(79.3％),1,2-benzisothiazole-3-one(72.4％),and 1,2-benzisothiazole-3-one(72.4％).The quantitative concentration range of EPs was 1.37～19.05 ng/mL,with the high concentrations observed for melamine(19.05 ng/mL)and furosemide(18.49 ng/mL).Ecological risk assessment identified 1,2-benzisothiazol-3-one,4-aminoacetophenone,creatinine,2-hydroxybenzothiazole,and furosemide as key pollutants.Conclusion This direct injection coupled with HRMS workflow enables efficient non-targeted screening and prioritization of emerging EPs in sewage samples,highlighting five ecotoxicologically critical EPs.The methodology enhances environmental monitoring capabilities and provide critical technical support for interdisciplinary research such as environmental forensics and health risk assessment.
