TY - JOUR
T1 - Comprehensive identification of steroid hormones in human urine based on liquid chromatography-high resolution mass spectrometry
AU - Zheng, Yuanyuan
AU - Zhao, Hongzhi
AU - Zhu, Lin
AU - Cai, Zongwei
N1 - Funding Information:
The authors are grateful to all the volunteers who participated in the project for providing samples. The work was financially supported by National Natural Science Foundation of China (21705137), Hong Kong Baptist University Strategic Development Fund (15-1012-P04) and Collaborative Research Fund (C2014-14E) from Research Grants Council of Hong Kong.
Publisher copyright:
© 2019 Elsevier B.V. All rights reserved.
PY - 2019/12/16
Y1 - 2019/12/16
N2 - Steroid hormones, structural derivatives of cyclopentanoperhydrophenanthrene, play important roles in modulation of many physiological processes. Comprehensive characterization of steroid hormones is valuable for understanding the process of human life activities and even disease diagnosis. Hitherto systematical characterization of steroid hormones has been rarely investigated. Here, we presented an integrated method for human urine analysis based on ultra-high performance liquid chromatography-high resolution mass spectrometry in data-dependent acquisition mode with the following parallel reaction monitoring mode. To process the data acquired by two scan modes, a comparative study of standards’ fragmentation behaviors and diagnostic product ions (DPIs) were firstly conducted to facilitate the characterization of steroid hormones. The fragmentation behaviors, DPIs, elemental composition and double-bond equivalent were then simultaneously utilized for systematical characterization of steroid hormones in human urine. Consequently, fragmentation pathways and DPIs for all types of steroid hormones were comprehensively interpreted. It is interesting to find that dehydration is not restricted in the form of hydroxyl groups loss, elimination of the carbonyl oxygen could also generate dehydrated ions. Ultimately, a total of 80 and 107 steroidal hormones were characterized or tentatively identified in human urine of male and female, respectively. The proposed method is expected to provide valuable insights for chemical characterization in complex matrixes.
AB - Steroid hormones, structural derivatives of cyclopentanoperhydrophenanthrene, play important roles in modulation of many physiological processes. Comprehensive characterization of steroid hormones is valuable for understanding the process of human life activities and even disease diagnosis. Hitherto systematical characterization of steroid hormones has been rarely investigated. Here, we presented an integrated method for human urine analysis based on ultra-high performance liquid chromatography-high resolution mass spectrometry in data-dependent acquisition mode with the following parallel reaction monitoring mode. To process the data acquired by two scan modes, a comparative study of standards’ fragmentation behaviors and diagnostic product ions (DPIs) were firstly conducted to facilitate the characterization of steroid hormones. The fragmentation behaviors, DPIs, elemental composition and double-bond equivalent were then simultaneously utilized for systematical characterization of steroid hormones in human urine. Consequently, fragmentation pathways and DPIs for all types of steroid hormones were comprehensively interpreted. It is interesting to find that dehydration is not restricted in the form of hydroxyl groups loss, elimination of the carbonyl oxygen could also generate dehydrated ions. Ultimately, a total of 80 and 107 steroidal hormones were characterized or tentatively identified in human urine of male and female, respectively. The proposed method is expected to provide valuable insights for chemical characterization in complex matrixes.
KW - Data-dependent acquisition
KW - Diagnostic product ions
KW - Parallel reaction monitoring
KW - Steroid hormones
KW - Urine
UR - http://www.scopus.com/inward/record.url?scp=85073000769&partnerID=8YFLogxK
U2 - 10.1016/j.aca.2019.09.058
DO - 10.1016/j.aca.2019.09.058
M3 - Journal article
C2 - 31627806
AN - SCOPUS:85073000769
SN - 0003-2670
VL - 1089
SP - 100
EP - 107
JO - Analytica Chimica Acta
JF - Analytica Chimica Acta
ER -