A systematic comparison was made of the detected metabolite profiles for two plant materials (black beans and soybeans) and a dietary supplement (black cohosh) extracted using sequential (hexane, ethyl acetate, and 50% aqueous methanol) and direct extraction with three solvent systems (80% aqueous methanol, methanol/chloroform/water (2.5:1:1, v/v/v) and water). Extracts were analyzed by LC–MS (without derivatization) and GC-FID (with BSTFA/TMCS derivatizations). For sequential extraction, HPLC-UV and BSTFA/TMCS-derivatized GC-FID detection were more responsive to the polar molecules with a rough distribution of 10%, 10%, and 80% of the total signals in hexane, ethyl acetate, and 50% aqueous methanol, respectively. With HPLC–MS detection, the distribution of signals was more balanced, roughly 40%, 30%, and 30% for the same extracts (hexane, ethyl acetate, and 50% aqueous methanol). For direct extraction, HPLC-UV and BSTFA/TMCS-derivatized 4GC-FID provided signals between 60% and 150% of the total sequential extracted signals. The overlap of signals for the 3 sequential extracts ranged from 1% to 3%. The overlap of the signals for direct extraction with the total for sequential extraction ranged from 15% to 98%. With HPLC–MS detection, signals varied from 30% to 40% of the total signals for sequential extraction. Multivariate analysis showed that the components for the sequential and direct extracts were statistically different. However, each extract, sequential or direct, allowed discrimination between the 3 plant materials.

对两种植物材料（黑豆和大豆）和膳食补充剂（黑升麻）的检测到的代谢产物进行了系统比较，使用顺序（己烷，乙酸乙酯和50％甲醇水溶液）提取，并用三种溶剂系统直接提取（80％甲醇水溶液，甲醇/氯仿/水（2.5∶1∶1，v / v / v）和水）。提取物通过LC-MS（无衍生化）和GC-FID（带BSTFA / TMCS衍生化）进行分析。对于顺序提取，HPLC-UV和BSTFA / TMCS衍生的GC-FID检测对极性分子的反应更灵敏，在己烷，乙酸乙酯和50中的粗略分布分别为总信号的10％，10％和80％。分别为％甲醇水溶液。通过HPLC-MS检测，相同提取物（己烷，乙酸乙酯和50％的甲醇水溶液）。对于直接提取，HPLC-UV和BSTFA / TMCS衍生的4GC-FID提供的信号介于顺序提取的总信号的60％至150％之间。3个顺序提取的信号重叠范围为1％到3％。直接提取的信号与顺序提取的总信号的重叠范围为15％至98％。通过HPLC-MS检测，用于顺序提取的信号占总信号的30％到40％不等。多变量分析表明，顺序提取物和直接提取物的成分在统计上是不同的。但是，每种提取物（顺序或直接）均允许在3种植物材料之间进行区分。HPLC-UV和BSTFA / TMCS衍生的4GC-FID提供的信号介于顺序提取的总信号的60％至150％之间。3个顺序提取的信号重叠范围为1％到3％。直接提取的信号与顺序提取的总信号的重叠范围为15％至98％。通过HPLC-MS检测，用于顺序提取的信号占总信号的30％到40％不等。多变量分析表明，顺序提取物和直接提取物的成分在统计上是不同的。但是，每种提取物（顺序或直接）均允许在3种植物材料之间进行区分。HPLC-UV和BSTFA / TMCS衍生的4GC-FID提供的信号介于顺序提取的总信号的60％至150％之间。3个顺序提取的信号重叠范围为1％到3％。直接提取的信号与顺序提取的总信号的重叠范围为15％至98％。通过HPLC-MS检测，用于顺序提取的信号占总信号的30％到40％不等。多变量分析表明，顺序提取物和直接提取物的成分在统计上是不同的。但是，每种提取物（顺序或直接）均允许在3种植物材料之间进行区分。通过HPLC-MS检测，用于顺序提取的信号占总信号的30％到40％不等。多变量分析表明，顺序提取物和直接提取物的成分在统计上是不同的。但是，每种提取物（顺序或直接）均允许在3种植物材料之间进行区分。通过HPLC-MS检测，用于顺序提取的信号占总信号的30％到40％不等。多变量分析表明，顺序提取物和直接提取物的成分在统计上是不同的。但是，每种提取物（顺序或直接）均允许在3种植物材料之间进行区分。