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应用电喷雾离子阱多级质谱技术对紫草素及其活性衍生物去氧紫草素的结构和质谱裂解规律进行比较研究,并在负离子模式下解析了紫草素的主要特征碎片离子及其裂解规律。紫草素负离子模式下的主要碎片为m/z 287,269,259,218,190及173;其中,碎片m/z 218是其特征峰,碎片m/z 269和m/z 259均可进一步裂解为m/z 241,碎片m/z 190为m/z 259和m/z 218的共同产物离子;此外,碎片m/z 190和m/z 173均可进一步裂解为m/z 162。去氧紫草素负离子模式下主要裂解为碎片m/z 271、253、228和203;其中,碎片m/z253是其特征峰。紫草素和去氧紫草素均能发生过渡态氢重排β-裂解和连续的CO中性丢失。
The structure and mass spectrometric cleavage of shikonin and its active derivative deoxy shikonin were studied by electrospray ion trap mass spectrometry. The main characteristic fragment ions of shikonin were analyzed in negative ion mode Cracking law. Shikonin negative ion mode main fragment m / z 287,269,259,218,190 and 173; Among them, the fragment m / z 218 is its characteristic peak fragment m / z 269 and m / z 259 can be further cracked into m / z 241, fragments m / z 190 is a co-product ion of m / z 259 and m / z 218; in addition, both fragment m / z 190 and m / z 173 may be further cleaved to m / z 162. The deoxy shikonin anion mode was mainly cleaved into fragments m / z 271, 253, 228 and 203; among them, fragment m / z 253 was its characteristic peak. Both shikonin and deoxy shikonin can undergo transitional hydrogen rearrangement beta-cleavage and continuous loss of CO neutrality.