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. Author manuscript; available in PMC: 2017 Feb 12.
Published in final edited form as: Biochem Biophys Res Commun. 2016 Jan 19;470(3):599–605. doi: 10.1016/j.bbrc.2016.01.098

Table 1.

Metabolomic profiles in diabetic embryopathy

Name M/Z RT FC (DM/ND) p-value Mode
Glycoursodeoxycholic acid 450.3566 380.1778 4.9155 0.0303 Positive
CE(20:3(8Z,11Z,14Z)) 675.6755 556.3150 4.3483 0.0487 Positive
Cer(d18:1/26:1(17Z)) 676.6788 556.3023 4.2716 0.0491 Positive
Geranylgeranylcysteine 408.3078 504.8262 4.1764 0.0129 Positive
Cholic acid 409.3107 504.9104 4.0164 0.0118 Positive
TG(24:1(15Z)/24:0/o-18:0) 1044.6090 504.1836 3.7078 0.0261 Negative
Cepanone 211.1700 504.8546 3.6538 0.0161 Positive
Geranylgeranylcysteine 408.3084 138.7383 3.5957 0.0157 Positive
PE(18:3/P-16:0) 698.6586 241.0325 3.5759 0.0488 Positive
Orotic acid 156.9953 724.6285 3.4963 0.0317 Positive
Lysyl-Proline 244.1866 504.2698 3.3884 0.0110 Positive
Metanephrine 198.1859 503.9074 3.3789 0.0296 Positive
N-Arachidonoyl glycine 362.3021 137.1551 3.0794 0.0258 Positive
Acetomenaphthone 259.0975 46.1024 2.9574 0.0264 Positive
Leucyl-Proline 229.1929 504.1836 2.9560 0.0493 Positive
PIP2(20:4/18:1(11Z)) 1045.6037 502.9756 2.9042 0.0461 Positive
Cysteinyl-Asparagine 236.1623 506.7862 2.8581 0.0404 Positive
Thiamine 266.1833 136.5271 2.6693 0.0400 Positive
SM(d18:0/12:0) 651.4778 248.2837 0.3489 0.0359 Positive
Melitin 903.1448 517.2036 0.3039 0.0418 Positive
PGP(18:0/20:3) 881.1298 526.6806 0.3018 0.0377 Positive
(2E)-Dodecenoyl-CoA 944.6834 806.9919 0.2975 0.0484 Positive
PI(22:4/18:0) 915.6454 489.3901 0.2765 0.0437 Negative
PE(15:0/14:0) 650.4675 248.2485 0.2719 0.0208 Negative
PC(24:0/P-18:0) 859.1142 537.1303 0.2698 0.0340 Positive
TG(14:1(9Z)/22:5/20:4) 899.6532 817.4480 0.2564 0.0360 Positive
PE(24:0/24:0) 916.6511 490.5900 0.2475 0.0466 Positive
PC(22:0/24:1(15Z)) 928.1835 865.1219 0.2460 0.0410 Positive
PC(16:1(9Z)/24:0) 844.5977 417.0910 0.2433 0.0288 Positive
TG(18:1(9Z)/15:0/o-18:0) 834.1120 829.4199 0.2429 0.0374 Positive
TG(24:1(15Z)/18:1(9Z)/22:2) 1024.2350 829.3107 0.2251 0.0249 Positive
TG(20:4/20:2n6/22:6) 965.6926 798.0809 0.2161 0.0314 Positive
TG(18:2/20:3n6/20:4) 943.6815 807.3675 0.2102 0.0225 Positive
TG(22:4/20:5/20:4) 977.1785 373.3367 0.2062 0.0447 Positive
PC(24:1(15Z)/20:3) 894.6373 506.1557 0.2046 0.0439 Positive
TG(18:4/20:5/20:4) 921.6669 812.4027 0.2037 0.0254 Positive
PGP(16:0/16:1(9Z)) 801.0729 433.9451 0.1938 0.0288 Positive
(3′-sulfo)Galbeta-Cer(d18:0/22:0(2OH)) 880.6211 396.0516 0.1806 0.0319 Positive
TG(22:4/24:0/o-18:0) 1010.2210 749.1838 0.1791 0.0179 Positive
TG(14:1(9Z)/15:0/20:5) 810.0757 334.0019 0.1787 0.0287 Positive
PGP(18:1(9Z)/20:3) 879.6190 396.0207 0.1769 0.0394 Positive
TG(22:0/18:1(11Z)/o-18:0) 932.6513 386.7160 0.1643 0.0318 Positive
PC(20:0/22:4) 866.6123 408.3092 0.1604 0.0152 Positive
Triiodothyronine glucuronide 828.0993 547.1272 0.1549 0.0345 Positive
TG(18:4/20:5/18:4) 893.6341 504.7999 0.1480 0.0229 Positive
PC(24:1(15Z)/24:1(15Z)) 955.1662 379.9027 0.1478 0.0209 Positive
Salicyl CoA 886.1400 671.3439 0.1466 0.0194 Positive
TG(24:0/22:0/o-18:0) 1018.2164 567.8181 0.1199 0.0156 Positive
PIP(16:1(9Z)/18:0) 889.1267 399.8242 0.1180 0.0213 Positive
TG(22:0/22:1/18:3) 996.2041 584.8505 0.1119 0.0211 Positive
TG(18:4/14:0/22:6) 871.6229 519.4851 0.1041 0.0114 Positive
3-Oxooctanoyl-CoA 908.1547 650.9502 0.1022 0.0135 Positive
TG(20:0/22:5/18:3) 959.6771 466.3990 0.0993 0.0227 Positive
PG(16:1/18:3) 743.0342 352.9815 0.0953 0.0197 Negative
TG(18:1/22:1/o-18:0) 930.1656 632.2212 0.0913 0.0075 Negative
OPC4-CoA 988.2058 768.9839 0.0802 0.0104 Positive
(S)-3-Hydroxydodecanoyl-CoA 966.1959 797.8451 0.0768 0.0116 Positive
TG(24:0/18:0/18:1(11Z)) 974.1922 599.4445 0.0672 0.0118 Positive
Octanoyl-CoA 894.1380 505.3860 0.0641 0.0151 Positive
(S)-Hydroxydecanoyl-CoA 938.1642 478.7701 0.0580 0.0242 Positive
TG(22:0/22:4/o-18:0) 982.1895 454.2675 0.0579 0.0349 Positive
PG(20:3/22:2) 853.5988 321.2533 0.0576 0.0205 Positive
TG(18:1(11Z)/22:1(13Z)/20:4) 963.1634 298.0084 0.0568 0.0454 Positive
PC(P-18:1(9Z)/18:4) 765.0458 345.7993 0.0567 0.0298 Positive
TG(15:0/o-18:0/18:0) 836.0951 417.6578 0.0556 0.0171 Positive
TG(14:0/18:0/o-18:0) 822.0772 333.9968 0.0527 0.0495 Positive
TG(14:0/22:0/22:1(13Z)) 946.1623 368.8135 0.0509 0.0422 Positive
TG(20:4/22:1/o-18:0) 952.1783 617.0061 0.0496 0.0102 Positive
PE(P-16:0/22:5) 750.5430 274.8144 0.0492 0.0499 Positive
PIP(20:3/16:0) 941.1504 302.3774 0.0469 0.0495 Positive
TG(20:5/16:1(9Z)/20:5) 897.6255 311.8055 0.0445 0.0383 Positive
TG(22:1(13Z)/18:4/o-18:0) 924.1475 377.3902 0.0431 0.0378 Positive
SM(d16:1/24:1(15Z)) 787.0600 340.0357 0.0368 0.0256 Positive
PC(24:1(15Z)/22:5) 919.1381 307.0278 0.0336 0.0360 Negative
PE(22:6/24:1(15Z)) 874.6095 316.4193 0.0327 0.0329 Negative
PC(20:2/24:1(15Z)) 896.6226 311.8084 0.0299 0.0344 Negative
PI(16:0/16:1(9Z)) 809.0733 333.4410 0.0189 0.0212 Positive
PS(14:1(9Z)/14:1(9Z)) 676.3967 178.1948 0.0097 0.0463 Positive

Cer, ceramide. DM, diabetic. FC, fold change. M/Z, mass-to-charge ratio. ND, non-diabetic. PA, phosphatidic acid. PC, phosphatidylcholines. PE, phosphatidylethanolamine. PG, phosphatidylglycerol. PGP, phosphatidylglycerolphosphate. PI, phosphatidylinositol. PIP, phosphatidylinositol phosphate. PS, phosphatidylserine. RT, retention time. SM, sphingomyelin. TG, triglyceride.