Table 1. List of MRM transitions.
m/z (amu) | ||||||||||||
PC | PE | PI | PG | PBut | ||||||||
transitions | Q1 | Q3 | Q1 | Q3 | Q1 | Q3 | Q1 | Q3 | Q1 | Q3 | ||
16∶0/18∶1 | a | 804.5 → 281.2 | 716.5 → 281.2 | 835.5 → 281.2 | 747.5 → 281.2 | 729.6 → 281.2 | ||||||
b | 804.5 → 255.2 | 716.5 → 255.2 | 835.5 → 255.2 | 747.5 → 255.2 | 729.6 → 255.2 | |||||||
16∶0/18∶2 | a | 802.5 → 279.2 | 714.5 → 279.2 | 833.5 → 279.2 | 745.5 → 279.2 | 727.6 → 279.2 | ||||||
b | 802.5 → 255.2 | 714.5 → 255.2 | 833.5 → 255.2 | 745.5 → 255.2 | 727.6 → 255.2 | |||||||
16∶0/18∶3 | a | 800.5 → 277.2 | 712.5 → 277.2 | 831.5 → 277.2 | 743.5 → 277.2 | 725.6 → 277.2 | ||||||
b | 800.5 → 255.2 | 712.5 → 255.2 | 831.5 → 255.2 | 743.5 → 255.2 | 725.6 → 255.2 | |||||||
16∶1/18∶1 | a | 802.5 → 253.2 | 714.5 → 253.2 | 833.5 → 253.2 | 745.5 → 253.2 | 727.6 → 253.2 | ||||||
b | 802.5 → 281.2 | 714.5 → 281.2 | 833.5 → 281.2 | 745.5 → 281.2 | 727.6 → 281.2 | |||||||
16∶1/18∶2 | a | 800.5 → 279.2 | 712.5 → 279.2 | 831.5 → 279.2 | 743.5 → 279.2 | 725.6 →279.2 | ||||||
b | 800.5 → 253.2 | 712.5 → 253.2 | 831.5 → 253.2 | 743.5 → 253.2 | 725.6 → 253.2 | |||||||
16∶1/18∶3 | a | 798.5 → 277.2 | 710.5 → 277.2 | 829.5 → 277.2 | 741.5 → 277.2 | 723.6 →277.2 | ||||||
b | 798.5 → 253.2 | 710.5 → 253.2 | 829.5 → 253.2 | 741.5 → 253.2 | 723.6 → 253.2 | |||||||
18∶0/18∶1 | a | 832.6 → 281.2 | 744.6 → 281.2 | 863.6 → 281.2 | 775.6 → 281.2 | 757.6 → 281.2 | ||||||
b | 832.6 → 283.2 | 744.6 → 283.2 | 863.6 → 283.2 | 775.6 → 283.2 | 757.6 →283.2 | |||||||
18∶0/18∶2 | a | 830.6 → 279.2 | 742.6 → 279.2 | 861.6 → 279.2 | 773.6 → 279.2 | 755.6 → 279.2 | ||||||
b | 830.6 → 283.2 | 742.6 → 283.2 | 861.6 → 283.2 | 773.6 → 283.2 | 755.6 → 283.2 | |||||||
18∶0/18∶3 | a | 828.5 → 277.2 | 740.5 → 277.2 | 859.5 → 277.2 | 771.5 → 277.2 | 753.6 → 277.2 | ||||||
b | 828.5 → 283.2 | 740.5 → 283.2 | 859.5 → 283.2 | 771.5 → 283.2 | 753.6 → 283.2 | |||||||
18∶1/18∶1 | 830.6 → 281.2 | 742.6 → 281.2 | 861.6 → 281.2 | 773.6 → 281.2 | 755.6 → 281.2 | |||||||
18∶1/18∶2 | a | 828.5 → 279.2 | 740.5 → 279.2 | 859.5 → 279.2 | 771.5 → 279.2 | 753.6 → 279.2 | ||||||
b | 828.5 → 281.2 | 740.5 → 281.2 | 859.5 → 281.2 | 771.5 → 281.2 | 753.6 → 281.2 | |||||||
18∶1/18∶3 | a | 826.5 → 281.2 | 738.5 → 281.2 | 857.5 → 281.2 | 769.5 → 281.2 | 751.6→ 281.2 | ||||||
b | 826.5 → 277.2 | 738.5 → 277.2 | 857.5 → 277.2 | 769.5 → 277.2 | 751.6 → 277.2 | |||||||
18∶2/18∶2 | 826.5 → 279.2 | 738.5 → 279.2 | 857.5 → 279.2 | 769.5 → 279.2 | 751.6 → 279.2 | |||||||
18∶2/18∶3 | a | 824.5 → 277.2 | 736.5 → 277.2 | 855.5 → 277.2 | 767.5 → 277.2 | 749.6 → 277.2 | ||||||
b | 824.5 → 279.2 | 736.5 → 279.2 | 855.5 → 279.2 | 767.5 → 279.2 | 749.6 → 279.2 | |||||||
18∶3/18∶3 | 822.5 → 277.2 | 734.5 → 277.2 | 853.5 → 277.2 | 765.5 → 277.2 | 747.6 → 277.2 |
The list was established from PC, PI and PE enhanced resolution mass spectra. From the spectra the molecular species can be deduced as “carbon number:double bond”. The detailed fatty acid composition of the molecular species consistent with carbon number:double-bond formula can be assayed by transitions parent → product ions after CID of the ester bonds. In bold: m/z detected for PE, PC and PI by enhanced-resolution mass scanning. Underlined: transitions detected by product ion analysis. For PE and PI the parent ions m/z correspond to the [M−H]− and for PC it corresponds to [M+HCOO]−. In agreement with formula a difference of 2 amu is noted between m/z of PE MRM (negative ionization M−H) and neutral loss of m/z 141 (positive ionization M+H).