手动抽提
1 预处理标准
计算QC AVE, RSD, Fill (%)
QC RSD过滤：≤30% (or 50%)
QC Fill过滤：≥1 (or 0.9)
联合QC RSD & Fill &过滤加和离子选择，统一用一种，一般选强度高的，原始数据抽提确认代表性脂质，例如DG同时有+NH4和Na，选[M+NH4]+，如果没有+NH4则选+Na
保留时间相同的要去重，有些需要原始数据抽提手动确认多峰情况，C数越小RT越小，=数越多RT越小
脂肪链鉴定信息补充，例如PC正离子响应高，但是负离子能够提供两条脂肪链信息，正负结合鉴定
补充连续碳数和双键数的缺失脂质，例如有PC(38:4)和PC(38:6)，应手动搜查PC(38:5)
常见FA
14:0
16:0, 16:1
18:0, 18:1, 18:2, 18:3
20:0, 20:3, 20:4, 20:5
22:0, 22:4, 22:5, 22:6
24:0, 24:6
26:0
2 各类脂质检测模式
| Lipid Class I | Lipid Class II | Ionization mode | 参考数量 (DKD mice) | 备注 |
|---|---|---|---|---|
| Fatty Acyls (FA) | CAR | [M+H]+ | 32 | C数<10的可能不是 |
| Fatty Acyls (FA) | FA | [M-H]- | 52 | |
| Fatty Acyls (FA) | FAHFA | [M-H]- | 2 | |
| Fatty Acyls (FA) | NAE | [M+H]+ | 46 | |
| Fatty Acyls (FA) | NAGly | [M+H]+ | 5 | |
| Fatty Acyls (FA) | NAGlySer | [M-H]- | 2 | |
| Fatty Acyls (FA) | OxFA | [M-H]- | 6 | |
| Glycerolipids (GL) | DG | [M+NH4]+ | 89 | [M+NH4]+和[M+Na]+同时存在，前者信号高，优先选前者 |
| Glycerolipids (GL) | DGTS | [M-H]- | 1 | |
| Glycerolipids (GL) | EtherSMGDG | [M-H]- | 1 | |
| Glycerolipids (GL) | OxTG | [M+NH4]+ | 7 | [M+NH4]+和[M+Na]+同时存在，前者信号高，优先选前者 |
| Glycerolipids (GL) | TG | [M+NH4]+ | 115 | [M+NH4]+和[M+Na]+同时存在，前者信号高，优先选前者 |
| Glycerophospholipids (GP) | CL | [M-H]- | 5 | |
| Glycerophospholipids (GP) | EtherLPC | [M+H]+ | 17 | |
| Glycerophospholipids (GP) | EtherLPE | [M-H]- | 3 | |
| Glycerophospholipids (GP) | EtherLPG | [M-H]- | 1 | |
| Glycerophospholipids (GP) | EtherOxPC | [M-H]- | 1 | |
| Glycerophospholipids (GP) | EtherPC | [M+H]+ | 78 | |
| Glycerophospholipids (GP) | EtherPE | [M-H]- | 56 | |
| Glycerophospholipids (GP) | EtherPI | [M-H]- | 2 | |
| Glycerophospholipids (GP) | LNAPE | [M-H]- | 9 | |
| Glycerophospholipids (GP) | LPC | [M+H]+ | 41 | |
| Glycerophospholipids (GP) | LPE | [M-H]- | 16 | |
| Glycerophospholipids (GP) | LPI | [M-H]- | 1 | |
| Glycerophospholipids (GP) | OxPC | [M-H]- | 6 | |
| Glycerophospholipids (GP) | OxPE | [M-H]- | 6 | |
| Glycerophospholipids (GP) | OxPI | [M-H]- | 4 | |
| Glycerophospholipids (GP) | PC | [M+H]+ | 74 | 以正离子为主，结合查看负离子，负离子可以提供两条脂肪链的准确信息，替换正离子鉴定结果 |
| Glycerophospholipids (GP) | PE | [M-H]- | 37 | |
| Glycerophospholipids (GP) | PEtOH | [M-H]- | 2 | |
| Glycerophospholipids (GP) | PG | [M-H]- | 3 | |
| Glycerophospholipids (GP) | PI | [M-H]- | 28 | |
| Glycerophospholipids (GP) | PMeOH | [M-H]- | 1 | |
| Glycerophospholipids (GP) | PS | [M-H]- | 1 | |
| Sphingolipids (SP) | AHexBRS | [M-H]- | 2 | |
| Sphingolipids (SP) | BileAcid | [M-H]- | 3 | |
| Sphingolipids (SP) | BRSE | [M+H]+ | 1 | |
| Sphingolipids (SP) | CASE | [M+H]+ | 2 | |
| Sphingolipids (SP) | Cer | [M+H]+ | 45 | [M+H]+或[M+H-H2O]+，一般[M+H-H2O]+信号高 |
| Sphingolipids (SP) | Cer_HDS | [M+H]+ | 4 | |
| Sphingolipids (SP) | Cer_HS | [M+H]+ | 4 | |
| Sphingolipids (SP) | Cer_NDS | [M+H]+ | 6 | |
| Sphingolipids (SP) | Cer_NS | [M+H]+ | 27 | |
| Sphingolipids (SP) | GM3 | [M-H]- | 9 | |
| Sphingolipids (SP) | HexCer_HDS | [M-H]- | 3 | |
| Sphingolipids (SP) | HexCer_HS | [M-H]- | 2 | |
| Sphingolipids (SP) | HexCer_NS | [M-H]- | 10 | |
| Sphingolipids (SP) | PE_Cer | [M-H]- | 13 | |
| Sphingolipids (SP) | SHexCer | [M-H]- | 8 | |
| Sphingolipids (SP) | SL | [M-H]- | 3 | |
| Sphingolipids (SP) | SM | [M+H]+ | 67 | |
| Sphingolipids (SP) | SSulfate | [M-H]- | 3 | |
| Sphingolipids (SP) | STSE | [M+H]+ | 1 | |
| Sterol lipids (ST) | CE | [M+H]+ | 7 | |
| Sterol lipids (ST) | DCAE | [M+H]+ | 2 | |
| Sterol lipids (ST) | SISE | [M+H]+ | 2 | |
| Sterol lipids (ST) | ST | [M+H]+ | 18 | |
| Sterol lipids (ST) | VAE | [M+H]+ | 2 |
注：以上仅供参考，请结合MS-DIAL分类和数据具体情况判断。MS-DIAL脂质信息见Msdial_Adduct