Column ESI MW RT (min) Tentative identification ID Identification based on MS/MS ANOVA Groupwise t -test Corrected value Groupwise t -test noncorrected value D0 D1 Fold change Corrected valueD0 D1 D0 D1 D0 D1 VIP D0 VIP D1 RP − 370.1815 8.957 ADTS or DHTS MID3559 20ev: 369.1746 [M−H]−; 369.1747 (100), 96.9591 (27), 370.1794 (7), 209.6079 (7) 1.08E − 07 8.49E − 11 6.80E − 04 0.030864 5.33E − 07 1.94E − 04 −2.37 −1.93 2.65 1.74 HILIC + 175.0954 6.357 Citrulline MID16 Verified with standard 10ev: 176.1043 [M+H]+; 159.0762 (100), 70.0653 (68), 113.0692 (46), 176.1043 (15) 1.17E − 04 1.05E − 06 0.77889 0.042103 0.025201 2.02E − 04 1.327 1.572 1.67 1.69 RP − 767.5465 12.93 PE(18:0/20:4) LMGP0201 20ev: 766.5635 [M−H]−; 766.5635 (100), 303.2348 (39), 767.5412 (34), 283.2612 (13), 59.0151 (7), 10ev: 768.5594 [M+H]+; 768.5635 (100), 627.5359 (32) 1.43E − 06 2.25E − 09 0.24644 0.016158 0.002157 4.34E − 05 −1.42 −1.63 1.71 1.98 RP − 837.5525 11.98 PC(15:0/22:6) [M+FA] LMGP0101 40ev: 836.546 [M+FA−H]−; 327.2326 (100), 241.2187 (42), 283.242 (39), 776.5189 (29), 168.0414 (27), 20ev: 792.5457 [M+H]+; 184.0729 (100), 792.5537 (81), 86.0693 (3) 0.007421 2.95E − 04 0.325565 0.199228 0.003948 0.016788 1.225 1.209 1.56 1.56 RP − 827.5697 12.3 PC(16:0/20:4) [M+FA] LMGP0101 20ev: 826.5624 [M+FA−H]−; 766.5390 (100), 767.5404 (34), 826.5603 (25) 0.007421 3.00E − 04 0.366474 0.180537 0.010339 0.007452 −1.09 −1.09 1.58 1.58 HILIC + 763.5173 0.706 PE(16:0/22:6) LMGP0201 20ev: 762.5062 [M−H]−; 327.2371 (100), 762.5071 (72), 344.5837 (55), 255.2369 (38), 764.5264 [M+H]+; 764.5264 (100), 623.4989 (50) 0.024721 0.002518 0.663723 0.142026 0.003572 0.007017 −1.49 −1.44 2.18 1.42 RP + 805.5637 12.22 PC(16:0/22:6) LMGP0101 20ev: 806.5696 [M+H]+; 184.0729 (100), 806.5701 (86), 524.3132 (5), 20ev: 850.5625 [M+FA−H]−; 93 (100), 850.5600 (39), 791.5447 (39), 327.2323 (18), 44.9986 (14), 851.5603 (13), 255.2322 (6) 0.027808 0.001026 0.599027 0.187622 0.116353 0.004307 1.099 1.163 1.37 1.71 HILIC + 809.5935 0.632 PC(18:0/20:4) LMGP0101 20ev: 854.588 [M+FA−H]−; 794.5697 (100), 854.5934 (29), 795.5785 (21), 303.2318 (11), 283.26 (7); 10ev: 810.6012 [M+H]+; 810.6045 (100), 184.073 (17) 0.09676 0.028541 0.784922 0.504751 0.047911 0.210616 −1.1 −1.06 1.59 0.99 HILIC + 523.3635 1.08 LysoPC(0:0/18:0) LMGP0105 40ev: 568.3607 [M+FA−H]−; 508.3418 (100), 283.2632 (30), 224.0657 (10), 44.9993 (9), 20ev: 524.3706 [M+H]+; 184.0731 (100), 524.3689 (10) 0.047961 0.008856 0.84261 0.146463 0.279208 0.014867 1.137 1.354 1.48 1.60 HILIC + 521.3482 1.091 LysoPC(0:0/18:1) LMGP0105 20ev: 522.3570 [M+H]+; 184.0738 (100), 522.3606 (7), 86.0964 (3) 0.040335 0.005835 0.84261 0.15821 0.230192 0.017452 1.157 1.355 1.47 1.66 HILIC + 495.334 1.15 LysoPC(0:0/16:0) LMGP0105 20ev: 540.3303 [M+FA−H]−; 255.2323 (100), 480.3042 (62), 242.0762 (7); 20ev: 496.3492 [M + H]+; 184.0764 (100), 496.3477 (5), 86.0974 (2) 0.047031 0.007895 0.887095 0.142026 0.436041 0.01111 1.085 1.318 1.47 1.52 HILIC + 523.3653 1.2 LysoPC(18:0/0:0) LMGP01050026 0.037508 0.005217 0.84261 0.142026 0.289454 0.008929 1.129 1.365 1.42 1.54 HILIC + 521.3502 1.215 LysoPC(18:1/0:0) LMGP0105 40ev: 566.345 [M+FA−H]−; 281.2481 (100), 224.0735 (14), 44.999 (9) 0.024721 0.002743 0.84261 0.146463 0.24612 0.014391 1.159 1.392 1.34 1.54 HILIC + 519.3347 1.227 LysoPC(18:2/0:0) LMGP0105 20ev: 520.3400 [M+H]+; 184.0733 (100), 520.339 (10), 104.1067 (2), 86.095 (2), 20ev: 564.3326 [M+FA−H]−; 504.3113 (100), 279.2337 (68), 44.9995 (10) 0.009186 4.33E − 04 0.887095 0.142026 0.45312 0.006973 1.093 1.45 1.29 1.50 HILIC + 495.3345 1.284 LysoPC(16:0/0:0) LMGP01050018 0.103087 0.031116 0.909764 0.185013 0.609742 0.02529 1.055 1.276 1.48 1.59 HILIC − 222.02 1.302 Unknown 10ev: 221.0126; 221.012 (100), 148.9898 (35), 130.9797 (12), 94.9242 (5), 92.9242 (3) 0.016106 9.59E − 04 0.585329 0.33396 0.013859 0.057424 −1.16 −1.13 1.64 1.14 RP + 231.1466 2.065 Butyryl-L-carnitine MID964 Verified with standard. 10ev: 232.1545 [M+H]+; 232.1549 (100), 85.0276 (95), 173.0738 (16), 60.0784 (3) 0.49639 0.218745 0.46469 0.782517 0.047231 0.482634 −1.39 −1.14 1.57 0.81 RP − 173.9987 2.408 Unknown 20ev: 172.9929 [M−H]−?; 93.0348 (100), 34.9705 (6) 0.404675 0.116603 0.861434 0.273229 0.594768 0.030835 −1.19 −2.01 1.36 1.82 RP + 250.1785 5.666 Unknown 10ev: 251.1860; 59.05 (100), 117.0906 (19), 41.0397 (7), 251.1881 (6) 0.009147 1.34E − 04 0.824211 0.216978 0.380635 0.008023 −1.02 1.27 0.86 1.55 HILIC + 155.0695 6.772 L-Histidine MID21 Verified with standard 10ev: 156.0765 [M+H]+; 110.0712 (100), 156.0758 (30), 95.0609 (11), 83.0602 (5) 0.016822 0.001302 0.670033 0.826355 0.008034 0.614635 1.207 1.035 1.76 0.86 RP − 396.1973 8.611 Pregnenolone sulfate MID5740 20ev: 395.1903 [M−H]−; 395.1903 (100), 96.9607 (23), 248.8949 (7), 305.7866 (6) 0.082724 0.010827 0.384093 0.398782 0.015051 0.079233 −1.5 −1.38 1.71 1.12 RP + 567.3333 10.12 LysoPC(22:6/0:0) (RP a) LMGP0105 20ev: 612.3301 [M+FA−H]−; 552.3112 (100), 327.2352 (25), 283.243 (8), 44.9985 (4), 20ev: 568.3392 [M+H]+; 104.1063 (100), 184.0726 (98), 568.3392 (86), 86.096 (14) 0.008933 1.03E − 04 0.457269 0.105666 0.041413 5.08E − 04 1.291 1.498 1.23 1.51 RP + 505.4133 11.69 Unknown 10ev: 506.4203; 60.0816 (100), 61.083 (4) 0.159382 0.029154 0.314458 0.799741 0.01188 0.505812 1.307 1.071 1.79 0.87 RP − 849.5526 11.87 PC(16:1/22:6) [M+FA] LMGP0101 40ev: 848.5490 [M+FA−H]−; 327.2322 (100), 253.2164 (52), 283.2444 (49), 478.2944 (31), 44.9987 (30), 20ev: 804.5531 [M+H]+; 184.0718 (100), 804.5512 (67) 0.03311 0.002648 0.366474 0.309525 0.008646 0.041723 1.309 1.235 1.56 1.32 RP − 801.5533 12.02 PC(16:1/18:2) [M+FA] LMGP0101 20ev: 756.5562 [M+H]+; 184.0737 (100), 756.5533 (78), 20ev: 800.5511 [M+FA−H]−; 740.5234 (100), 800.545 (53), 279.2312 (15), 253.2161 (11), 44.9988 (6) 0.035314 0.002909 0.372759 0.312787 0.01227 0.043172 −1.5 −1.44 1.76 1.19 RP + 415.3572 12.15 Unknown 10ev: 416.3633; 416.3617 (100), 164.1129 (4), 191.1039 (3) 0.067283 0.006009 0.513659 0.333893 0.070642 0.049803 −1.2 −1.2 1.33 1.60 RP + 831.5781 12.33 PC(18:1/22:6) LMGP0101 20ev: 832.5857 [M+H]+; 184.0738 (100), 832.585 (97), 40ev: 876.5774 [M+FA−H]−; 327.2333 (100), 281.2478 (67), 283.243 (32), 816.5537 (18), 44.9985 (18) 0.009147 1.40E − 04 0.534883 0.105666 0.07969 3.23E − 04 1.163 1.333 1.44 1.66 RP + 771.5775 12.58 Unknown PC 20ev: 772.5868 [M+H]+; 772.587 (100), 184.0736 (94), 86.0975 (5), double peak, no MS/MS from the first one 0.356662 0.11337 0.314458 0.848946 0.011944 0.591385 −1.24 1.046 1.98 0.98 RP + 759.5784 12.8 PC(16:0/18:1) LMGP0101 20ev: 804.5795 [M+FA−H]−; 745.5581 (28), 804.5754 (26), 281.2484 (14), 255.2315 (6), 44.9982 (3), 20ev: 760.5859 [M+H]+; 184.0732 (100), 760.5862 (82) 0.015602 4.25E − 04 0.298009 0.596521 0.008491 0.213038 −1.15 −1.06 1.58 1.24 RP + 833.5943 12.81 PC(18:0/22:6) LMGP0101 20ev:834.6028 [M+H]+; 834.5985 (100), 184.0727 (91), 86.0979 (2), 40ev: 878.5934 [M+FA−H]; 327.2332 (100), 283.2625 (48), 283.2436 (36), 818.5716 (20), 508.3402 (20), 44.9983 (10) 0.045589 0.002876 0.653825 0.216978 0.165991 0.007318 1.125 1.251 1.23 1.51 RP + 837.6245 13.57 Unknown PC 20ev: 838.6312 [M+H]+; 838.6324 (100), 184.0728 (56), 185.0744 (6) 0.077038 0.007688 0.285943 0.660969 0.007543 0.291104 −1.42 −1.13 1.57 1.11 RP + 787.6087 13.61 PC(18:0/18:1) LMGP0101 20ev: 788.6156 [M+H]+; 184.0728 (100), 788.6134 (100), 84.0787 (2); 40ev:832.6118 [M+FA−H]−; 281.2489 (100), 283.2635 (46), 772.5866 (14), 44.9979 (11) 0.091692 0.010657 0.301815 0.839344 0.008949 0.568381 −1.32 −1.06 1.60 0.84