色谱

色谱 ›› 2026, Vol. 44 ›› Issue (7): 827-833.DOI: 10.3724/SP.J.1123.2025.11005

• 教学研究 • 上一篇    下一篇

融合MassWorks质谱解析技术与气相色谱-低分辨质谱法的本科教学创新实践

李振兴1,2, 孙雨安1,*(), 李斌3, 于文浩2, 欧阳伟民3, 徐雅畅1, 田宽1, 赵建波1   

  1. 1.郑州轻工业大学，河南 郑州 450001
    2.郑州轻大产业技术研究院有限公司，河南 郑州 450001
    3.北京绿绵科技有限公司，北京 100080
  • 收稿日期:2025-11-10 出版日期:2026-07-08 发布日期:2026-07-09
  • 通讯作者: *E-mail：sya@zzuli.edu.cn.
  • 基金资助:
    河南省高等教育教学改革研究与实践重点项目(2024SJGLX0135);中国冶金教育学会教育教学研究项目(YJJY2024092ZC)

Innovative undergraduate teaching practice integrating MassWorks mass spectrometry analysis technology with gas chromatography-low resolution mass spectrometry

LI Zhenxing1,2, SUN Yu’an1,*(), LI Bin3, YU Wenhao2, OUYANG Weimin3, XU Yachang1, TIAN Kuan1, ZHAO Jianbo1   

  1. 1.Zhengzhou University of Light Industry，Zhengzhou 450001，China
    2.Zhengzhou Qingda Industrial Technology Research Institute Co. ，Ltd. ，Zhengzhou 450001，China
    3.Beijing Green Cotton Technology Co. ，Ltd. ，Beijing 100080，China
  • Received:2025-11-10 Online:2026-07-08 Published:2026-07-09
  • Supported by:
    Key Project of Higher Education Teaching Reform Research and Practice in Henan Province(2024SJGLX0135);Education and Teaching Research Project of China Metallurgical Education Association(YJJY2024092ZC)

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摘要：

针对质谱应用人才短缺的行业现状与本科教学中仪器资源有限、学生定性能力薄弱、原理理解困难等瓶颈，开展了一项基于常规气相色谱-质谱法与MassWorks专业质谱解析软件相结合的教学改革实践。以14种香料混合标准品为分析对象，实验设计覆盖分离、检测、精确质量测定、同位素分布匹配、分子式识别、结构解析全流程，借助软件的精确质量校准与同位素峰形校准双校正技术，显著提升了低分辨质谱数据的质量精度与定性可靠性。实践结果显示，该方法使质谱数据质量精度提升100倍，质量偏差控制在|Δm|≤10 mDa，同位素谱图准确度达98%以上，定性结果准确可靠，教学成效显著。通过理论解析、软件应用、实践验证的闭环训练，有效培养了学生的科研思维、数据分析能力及解决复杂问题的创新能力，为在有限资源条件下提升仪器分析教学质量提供了可复制、可推广的有效范式。

关键词: MassWorks, 气相色谱-低分辨质谱法, 教学改革, 分子式识别, 同位素谱图准确度

Abstract:

Mass spectrometry professionals are in short supply industry-wide. Undergraduate teaching has bottlenecks： limited instrumentation， weak qualitative skills and abstract theoretical concepts. We report an innovative pedagogy coupling conventional gas chromatography-mass spectrometry （GC-MS） with the MassWorksTM software suite. A 14-component fragrance standard mixture was employed to design an experiment spanning the entire workflow separation， detection， exact-mass measurement， isotopic-pattern matching， molecular-formula assignment， structural elucidation. By exploiting the software’s dual-calibration algorithms for exact-mass and isotopic-profile refinement， the mass accuracy and qualitative reliability of GC-low resolution MS data were dramatically enhanced. The practical results show that this method improves the quality accuracy of MS data by 100 times， controls the mass deviation within |Δm|≤10 mDa， achieves an accuracy of over 98% in isotope spectra， and provides accurate and reliable qualitative results. The teaching effect is significant. Through the closed-loop training of theoretical analysis， software application， and practical verification， students’ scientific research thinking， data analysis ability， and innovative ability to solve complex problems have been effectively improved. This provides a replicable and scalable effective paradigm for improving the quality of instrument analysis teaching under limited resource conditions.

Key words: MassWorks, gas chromatography-low resolution mass spectrometry, teaching reform, molecular formula identification, accuracy of isotopic spectrum

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