2.14. Lipidomics data analysis

FH Feixiang He
TZ Ting Zhang
KX Kewen Xue
ZF Zhaoxiong Fang
GJ Guanmin Jiang
SH Siwen Huang
KL Kexue Li
ZG Zhiqiang Gu
HS Honggang Shi
ZZ Zhenyi Zhang
HZ Huijin Zhu
LL Lu Lin
JL Jialin Li
FX Fei Xiao
HS Hong Shan
RY Ru Yan
XL Xiaofeng Li
ZY Zhixiang Yan
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Raw data files were processed using the LipidSearch software (version 4.1) (Thermo Fisher Scientific) to identify and quantify lipid molecular species. Peak detection was performed as follows: Recalc Isotope, on; RT interval (min), 0.01. Lipid identification was as follows: Search type, Product; Exp type, LC-MS; Precursor tolerance, 10 ppm; Product tolerance, 10 ppm; Intensity threshold, 1.0%; Target class, ALL lipid classes; Ion adducts (positive ion mode) of +H, +NH4, +Na, +H–H2O, and +2 H; Ion adducts (negative Ion mode) of –H, +HCOO, +CH3COO, +Cl, and −2H; Top rank filter, On; Main node filter, Main isomer peak; m-Score threshold, 5.0; FA priority, On. ID Quality Filter, Check A, B, C, D (A: lipid class and FA are identified, B: lipid class and some FA were identified, C: Lipid class or FA were identified, D: Lipid identified by other fragment ions (H2O loss, and other non-specific neutral losses). Quantitation was performed using a m/z tolerance of −/+ 5.0 ppm and a RT range of −0.5/+ 0.5 min. Peak alignment was performed using the following parameters: Alignment Method, Max; RT Tolerance, 0.25 min; Calculate unassigned peak area, On; Filter type, New filter; Top rank filter, On; Main node filter, Main isomer peak; m-Score threshold, 5.0; ID quality filter, A, B and C.

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