Chinese Journal of Applied Chemistry ›› 2022, Vol. 39 ›› Issue (5): 819-827.DOI: 10.19894/j.issn.1000-0518.210160
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Shu-Fang LI1(), Xue-Fei HAO1, Hong-Qi WANG1, Xiao-Meng GUO2, Shu-Hui FENG1, Hai-Yan YIN1, Dong-Mei LIU1, Yong-Jie YU2
Received:
2021-04-02
Accepted:
2021-07-07
Published:
2022-05-01
Online:
2022-05-24
Contact:
Shu-Fang LI
About author:
lishufang@hnagri.org.cnSupported by:
CLC Number:
Shu-Fang LI, Xue-Fei HAO, Hong-Qi WANG, Xiao-Meng GUO, Shu-Hui FENG, Hai-Yan YIN, Dong-Mei LIU, Yong-Jie YU. Automatic Data Analysis Strategy Coupled with Q Exactive High Resolution Mass Spectrometry for Studying Different Industrial Process of Lonicerae Japonicae Flos[J]. Chinese Journal of Applied Chemistry, 2022, 39(5): 819-827.
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URL: http://yyhx.ciac.jl.cn/EN/10.19894/j.issn.1000-0518.210160
Fig.1 Appearance of Lonicerae Japonicae Flos from different processing methods(G1) Sun drying; (G2) Shade drying; (G3) Oven drying; (G4) Hot chamber drying; (G5) Hot pump drying; (G6) Vacuum freeze drying
时间 Time/min | 流动相A% Mobile phase A% | 流动相B% Mobile phase B% | 时间 Time/min | 流动相A% Mobile phase A% | 流动相B% Mobile phase B% |
---|---|---|---|---|---|
0.0 | 0 | 100 | 28.0 | 30 | 70 |
2.0 | 1 | 99 | 30.0 | 40 | 60 |
5.0 | 5 | 95 | 38.0 | 88 | 22 |
8.0 | 10 | 90 | 40.0 | 90 | 10 |
16.0 | 15 | 85 | 43.0 | 100 | 0 |
23.0 | 20 | 80 | 50.0 | 100 | 0 |
Table 1 The gradient elution procedure of UHPLC?HRMS
时间 Time/min | 流动相A% Mobile phase A% | 流动相B% Mobile phase B% | 时间 Time/min | 流动相A% Mobile phase A% | 流动相B% Mobile phase B% |
---|---|---|---|---|---|
0.0 | 0 | 100 | 28.0 | 30 | 70 |
2.0 | 1 | 99 | 30.0 | 40 | 60 |
5.0 | 5 | 95 | 38.0 | 88 | 22 |
8.0 | 10 | 90 | 40.0 | 90 | 10 |
16.0 | 15 | 85 | 43.0 | 100 | 0 |
23.0 | 20 | 80 | 50.0 | 100 | 0 |
Fig.5 Illustration of the compound identification process by AntDAS(A) EIC profiles of the ions in (B). (B) Compound identification result for the constructed mass spectrum
序号 No. | 保留时间 RT/min | 准分子离子峰 [M+H]+(m/z) | 化合物 Compound | 分子式 Chemical formula | CAS编号 CAS No. |
---|---|---|---|---|---|
1 | 1.52 | 348.0742 | Adenosine 5'?monophosphate(腺苷酸) | C10H14N5O7P | 61?19?8 |
2 | 7.52 | 268.1071 | Adenosine(腺苷) | C10H13N5O4 | 58?61?7 |
3 | 7.73 | 284.1022 | Guanosine(鸟苷) | C10H13N5O5 | 118?00?3 |
4 | 9.99 | 382.1754 | Cis?Zeatin?9?glucoside(顺式?玉米素?9?葡糖苷) | C16H23N5O6 | 38165?56?9 |
5 | 10.70 | 205.0995 | Tryptophan(色氨酸) | C11H12N2O2 | 73?22?3 |
6 | 12.38 | 197.0830 | Xanthoxylin(4,6?二甲基?2?羟基苯乙酮) | C10H12O4 | 90?24?4 |
7 | 12.85 | 355.1057 | Chlorogenic acid(绿原酸) | C16H18O9 | 327?97?9 |
8 | 15.82 | 359.1375 | Sweroside(獐牙菜苷) | C16H22O9 | 14215?86?2 |
9 | 21.78 | 451.1285 | Okanin?4'?O?glucoside(马里苷) | C21H22O11 | 535?96?6 |
10 | 21.83 | 611.1674 | Rutin(芦丁) | C27H30O16 | 153?18?4 |
11 | 22.60 | 465.1078 | Isoquercetin(异槲皮苜) | C21H20O12 | 482?35?9 |
12 | 24.75 | 595.1722 | Nicotiflorin(烟花苷) | C27H30O15 | 17650?84?9 |
13 | 25.59 | 449.1128 | Cyanidin?3?O?glucoside(花青素?3?O?葡萄糖苷) | C21H21O11 | 47705?70?4 |
14 | 25.62 | 625.1827 | Isorhamnetin?3?O?rutinoside(水仙苷) | C28H32O16 | 53584?69?3 |
15 | 26.43 | 479.1241 | Isorhamnetin?3?O?glucoside(异鼠李素?3?O?葡萄糖苷) | C22H22O12 | 5041?82?7 |
16 | 27.27 | 463.1291 | Peonidin?3?O?glucoside(氯化葡萄糖苷芍药素) | C22H23O11 | 6906?39?4 |
Table 2 16 different metabolites identified by AntDAS
序号 No. | 保留时间 RT/min | 准分子离子峰 [M+H]+(m/z) | 化合物 Compound | 分子式 Chemical formula | CAS编号 CAS No. |
---|---|---|---|---|---|
1 | 1.52 | 348.0742 | Adenosine 5'?monophosphate(腺苷酸) | C10H14N5O7P | 61?19?8 |
2 | 7.52 | 268.1071 | Adenosine(腺苷) | C10H13N5O4 | 58?61?7 |
3 | 7.73 | 284.1022 | Guanosine(鸟苷) | C10H13N5O5 | 118?00?3 |
4 | 9.99 | 382.1754 | Cis?Zeatin?9?glucoside(顺式?玉米素?9?葡糖苷) | C16H23N5O6 | 38165?56?9 |
5 | 10.70 | 205.0995 | Tryptophan(色氨酸) | C11H12N2O2 | 73?22?3 |
6 | 12.38 | 197.0830 | Xanthoxylin(4,6?二甲基?2?羟基苯乙酮) | C10H12O4 | 90?24?4 |
7 | 12.85 | 355.1057 | Chlorogenic acid(绿原酸) | C16H18O9 | 327?97?9 |
8 | 15.82 | 359.1375 | Sweroside(獐牙菜苷) | C16H22O9 | 14215?86?2 |
9 | 21.78 | 451.1285 | Okanin?4'?O?glucoside(马里苷) | C21H22O11 | 535?96?6 |
10 | 21.83 | 611.1674 | Rutin(芦丁) | C27H30O16 | 153?18?4 |
11 | 22.60 | 465.1078 | Isoquercetin(异槲皮苜) | C21H20O12 | 482?35?9 |
12 | 24.75 | 595.1722 | Nicotiflorin(烟花苷) | C27H30O15 | 17650?84?9 |
13 | 25.59 | 449.1128 | Cyanidin?3?O?glucoside(花青素?3?O?葡萄糖苷) | C21H21O11 | 47705?70?4 |
14 | 25.62 | 625.1827 | Isorhamnetin?3?O?rutinoside(水仙苷) | C28H32O16 | 53584?69?3 |
15 | 26.43 | 479.1241 | Isorhamnetin?3?O?glucoside(异鼠李素?3?O?葡萄糖苷) | C22H22O12 | 5041?82?7 |
16 | 27.27 | 463.1291 | Peonidin?3?O?glucoside(氯化葡萄糖苷芍药素) | C22H23O11 | 6906?39?4 |
Fig.6 Peak areas of 16 different metabolites in various processing methodsG1: Sun drying; G2: Shade drying; G3: Oven drying; G4: Hot chamber drying; G5: Heat pump drying; G6: Vacuum freeze drying
Fig.7 Analysis of HCA and PCA from different processing methods(A) and (B) are sample clustering results by HCA and PCA, respectively. G1: Sun drying; G2: Shade drying; G3: Oven drying; G4: Hot chamber drying; G5: Hot pump drying; G6: Vacuum freeze drying
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