差异代谢物筛选
通过对代谢物进行筛选,寻找差异代谢物(biomarker)。相关差异代谢物筛选条件有:
详细含义:
筛选值 | 筛选值含义 | 筛选阈值 | 备注 |
---|---|---|---|
p-value | 统计学上显著差异 | p-value ≤ 0.05 | 无 |
VIP | OPLS-DA第一主成分变量重要性值投影 | VIP ≥ 1 | 无 |
Fold change | 两两组别间倍性变化 | fold_change ≥1.5或≤0.667 | 含量差异较大 |
one-way ANOVA p-value | 一维方差分析 | p-value ≤ 0.05 | 主要用于时间序列,梯度浓度处理等 |
two-way ANOVA p-value | 两因素方差分析 | p-value ≤ 0.05 | 一般为两因素情况,如对照-处理+时间序列样本 |
本实验采用条件 1
进行代谢物筛选,最终获得的差异代谢物见下表:
差异信息汇总信息
差异信息汇总表格;dam_DEG.xlsx
dam_DEG.xlsx 包含“stats”和“ALL_DEG.xlsx”两个工作簿,其中“stats”统计了各个比对组别差异代谢物的上、下调情况,“ALL_DEG”汇总了所有比对组别的差异代谢物信息。
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CAS | RT | VIP | mean_CZ | sd_CZ | mean_KA | sd_KA | Fold Change_CZ/KA | log2(FC_CZ/KA) | p.value | FDR | |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Hepten-2-one, 6-methyl- | 110.000 | 738.235 | 1.859 | 0.040 | 0.002 | 0.012 | 0.000 | 3.398 | 1.765 | 0.000 | 0.003 |
2-Aminopyridine | 504.000 | 773.260 | 1.856 | 0.057 | 0.004 | 0.012 | 0.000 | 4.880 | 2.287 | 0.000 | 0.003 |
Methane, trimethoxy- | 149.000 | 370.065 | 1.849 | 0.158 | 0.017 | 0.012 | 0.000 | 13.485 | 3.753 | 0.000 | 0.009 |
Furan, 2-(1,2-diethoxyethyl)- | 14133.000 | 1011.800 | 1.844 | 0.067 | 0.007 | 0.012 | 0.000 | 5.691 | 2.509 | 0.000 | 0.011 |
2-Hexenoic acid, ethyl ester | 1552.000 | 752.590 | 1.843 | 11.441 | 0.238 | 5.455 | 0.754 | 2.098 | 1.069 | 0.000 | 0.011 |
1-Pentanol, 3-methyl- | 589.000 | 723.575 | 1.826 | 1.146 | 0.666 | 5.756 | 0.494 | 0.199 | -2.328 | 0.001 | 0.026 |
1-Pentanol, 4-methyl- | 626.000 | 702.560 | 1.776 | 0.596 | 0.335 | 2.353 | 0.352 | 0.253 | -1.982 | 0.003 | 0.076 |
3-Hexen-1-ol, acetate, (Z)- | 3681.000 | 703.340 | 1.767 | 0.378 | 0.008 | 2.894 | 0.733 | 0.131 | -2.937 | 0.004 | 0.077 |
Butanoic acid, 3-hydroxy-, ethyl ester | 5405.000 | 968.605 | 1.765 | 0.283 | 0.010 | 0.501 | 0.064 | 0.565 | -0.824 | 0.004 | 0.077 |
Octanoic acid, 3-methylbutyl ester | 2035.000 | 1145.410 | 1.764 | 5.029 | 3.121 | 21.696 | 3.840 | 0.232 | -2.109 | 0.004 | 0.077 |
Ethyl (E)-2-octenoate | 7367.000 | 1018.790 | 1.755 | 0.091 | 0.037 | 0.225 | 0.019 | 0.403 | -1.312 | 0.005 | 0.086 |
1-Butanol, 2-methyl-, acetate | 624.000 | 437.365 | 1.742 | 1.217 | 0.273 | 0.143 | 0.227 | 8.537 | 3.094 | 0.006 | 0.102 |
1,3,5,7-Cyclooctatetraene | 629.000 | 623.030 | 1.725 | 0.356 | 0.212 | 1.039 | 0.119 | 0.343 | -1.546 | 0.008 | 0.125 |
Pentadecanoic acid, 3-methylbutyl ester | 2306.000 | 1369.520 | 1.723 | 1.293 | 0.355 | 4.620 | 1.139 | 0.280 | -1.837 | 0.008 | 0.125 |
2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- | 106.000 | 1346.870 | 1.711 | 0.302 | 0.011 | 0.099 | 0.075 | 3.059 | 1.613 | 0.010 | 0.133 |
Acetaldehyde, butylhydrazone | 20607.000 | 234.205 | 1.708 | 0.231 | 0.083 | 0.012 | 0.000 | 19.764 | 4.305 | 0.010 | 0.133 |
Butyrolactone | 96.000 | 1108.740 | 1.671 | 6.572 | 0.682 | 2.007 | 1.833 | 3.275 | 1.711 | 0.016 | 0.180 |
Octanoic acid, methyl ester | 111.000 | 808.725 | 1.658 | 3.221 | 1.317 | 7.309 | 1.255 | 0.441 | -1.182 | 0.018 | 0.191 |
2-Heptanol, (S)- | 6033.000 | 709.700 | 1.658 | 0.552 | 0.468 | 1.727 | 0.233 | 0.320 | -1.645 | 0.018 | 0.191 |
3-Hexenoic acid, ethyl ester, (E)- | 26553.000 | 696.460 | 1.640 | 0.652 | 0.049 | 0.466 | 0.072 | 1.400 | 0.486 | 0.021 | 0.212 |
Hexanoic acid, propyl ester | 626.000 | 717.930 | 1.620 | 0.417 | 0.032 | 0.488 | 0.015 | 0.853 | -0.230 | 0.025 | 0.241 |
Butanoic acid, 3-methyl- | 503.000 | 1157.320 | 1.606 | 0.618 | 0.973 | 2.712 | 0.442 | 0.228 | -2.133 | 0.027 | 0.257 |
2-Undecanone | 112.000 | 1074.740 | 1.605 | 0.856 | 0.272 | 0.293 | 0.095 | 2.925 | 1.548 | 0.028 | 0.257 |
Propanoic acid, 2-methyl-, ethyl ester | 97.000 | 269.125 | 1.577 | 13.305 | 5.790 | 2.695 | 0.291 | 4.936 | 2.303 | 0.034 | 0.305 |
Propanoic acid, 2-methyl- | 156564.000 | 1038.330 | 1.571 | 5.406 | 1.363 | 1.681 | 1.548 | 3.216 | 1.685 | 0.035 | 0.309 |
CAS:CAS号;rt:保留时间(以分钟为单位);*_VIP:VIP值;mean_*:平均值;sd_*:标准差;fold change:倍性变化;log2(FC):倍性变化的log2值;pvalue:统计学p值;FDR:pvalue校正值