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. 2022 Feb 23;23(5):2474. doi: 10.3390/ijms23052474

Table 2.

List of annotated metabolites identified with CEU mass mediator for exometabolome. Metabolites written in italics were characterized by chemical family identification.

Treatments m/z Adducts Formula Δm/z (ppm) Compound
PA + T & PA 836.6165 [M+H]+ Phosphatidylcholine
835.5348 [M-H]- Glycerophospholipids
802.5609 [M-H]- Glycerophosphoserines
466.2932 [M-H]- C22H46NO7P 2 PE(17:1(9Z)/0:0)/PC(14:1(9Z)/0:0)
381.3737 [M-H]- C25H50O2 0 Pentacosenoic acid/Mycolipenic acid (C25)
405.3214 [M-H]- C22H44O6 1 Ventosic acid
730.57 [M-H]- Phosphoethanolamin/Glycerophosphocholines
842.5916 [M-H]- Glycerophosphoserines
572.4818/596.528 [M+Cl]- _[M+HAc-H]- C34H67NO3 1 Ceramide d34:1;
PA + T & T 354.3014 [M-H]- C21H41NO3 0 N-palmitoyl proline/N-oleoyl alanine
547.3674 [M+H]+ C32H50O7 8 16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3/16-Glutaryloxy-1alpha,25-dihydroxy-20-epivitamin D3
866.5909 [M+HAc-H]- C48H84NO10P 0 PC 38:5; A
628.3619 [M+HAc-H]- C30H52NO7P LPC 22:5;
398.3272 [M+H]+ C23H43NO4 2 O-palmitoleoylcarnitine/trans-Hexadec-2-enoyl carnitine
604.3614 [M+HAc-H]- LPC 20:3;
PA + T & PA & T 859.6912 [M+HAc-H]- SM d41:1;
307.2637 [M-H]- C20H36O2 2 FA 20:2; (eicosadienoic acid)
787.6146 [M+H]+ Glycerophosphates
800.5814 [M+HAc-H]- PC p-34:2; or PC o-34:3;
811.6775 [M-H]- Triradylglycerols
715.5757 [M-H]- Ceramide phosphoethanolamines
814.5593 [M-H]- Glycerophosphoserines
407.3524 [M-H]- C26H48O3 2 3,4-Dimethyl-5-pentyl-2-furanpentadecanoic acid
Complete 407.3532 [M-H]- C26H48O3 2 3,4-Dimethyl-5-pentyl-2-furanpentadecanoic acid
407.3524 [M-H]- C26H48O3 2 3,4-Dimethyl-5-pentyl-2-furanpentadecanoic acid
329.2489 [M-H]- C22H34O2 1 FA 22:5;
538.351 [M-H]- Glycerophosphocholines/Glycerophosphoserines
808.5882 [M+H]+ C46H82NO8P 4 PC 38:5; B
537.4896 [M-H]- Fatty esters
376.3969 [M+H-H2O]+ C27H39D7O 5 1_Cholesterol d7 iSTD
269.2489 [M-H]- C17H34O2 1 FA 17:0; (margaric acid)