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利用电喷雾-四级杆-飞行时间质谱(ESI-Q-TOF/MS)的高分辨率及高质量准确度特点,在电喷雾负离子模式下,对5种雌激素类化合物的质谱裂解规律进行研究并用其稳定同位素内标进行确证。通过ESI-MS产生的[M-H]-获得相应化合物的相对分子质量信息。结果表明,结构类似的5种雌激素类化合物具有相似的电喷雾质谱行为,在碰撞诱导解离(collisional-induced dissociation,CID)过程中,首先失去C-17位上的氧原子,然后连续断裂D环和C环,开环后重新排列,进而形成稳定的共轭结构,最终得到高丰度的特征碎片离子m/z 183(m/z 181),m/z 169,m/z 145(m/z 143),这些特征有助于甾体激素类化合物的结构解析。
Based on the high-resolution and high-quality accuracy of electrospray-quadrupole-time-of-flight mass spectrometry (ESI-Q-TOF / MS), the mass spectrometric lysis of five estrogenic compounds was carried out in electrospray negative ion mode Study and confirm with its stable isotope internal standard. [M-H] - generated by ESI-MS - The relative molecular mass information of the respective compounds was obtained. The results showed that the five estrogenic compounds with similar structures had similar electrospray mass spectra. During collisional-induced dissociation (CID), oxygen atoms at C-17 were first lost and then continuously broken D ring and C ring, after ring opening and rearrangement, and then form a stable conjugate structure, resulting in high abundance of characteristic fragment ions m / z 183 (m / z 181), m / z 169, m / z 145 m / z 143), these features contribute to the structural analysis of steroid hormone compounds.