Metabolite_name RefMet_name AC 10-37_001 AC 11-41_002 AC 12-45_003 AC 2-5_004 AC 3-9_005 AC 4-13_006 AC 7-25_007 AC 8-29_008 AC 9-33_009 HM 10-38_010 HM 11-42_011 HM 12-46_012 HM 2-6_013 HM 7-26_014 HM 8-30_015 HM 9-34_016 WW 10-39_026 WW 11-43_027 WW 12-47_028 WW 1-3_029 WW 2-7_030 WW 4-15_031 WW 7-27_032 WW 8-31_033 WW 9-35_034 WR 10-40_017 WR 11-44_018 WR 12-48_019 WR 1-4_020 WR 2-8_021 WR 4-16_022 WR 7-28_023 WR 8-32_024 WR 9-36_025 Factors - Treatment:Control Diet Treatment:Control Diet Treatment:Control Diet Treatment:Control Diet Treatment:Control Diet Treatment:Control Diet Treatment:Control Diet Treatment:Control Diet Treatment:Control Diet Treatment:Resistant Starch Treatment:Resistant Starch Treatment:Resistant Starch Treatment:Resistant Starch Treatment:Resistant Starch Treatment:Resistant Starch Treatment:Resistant Starch Treatment:Whole Grain Treatment:Whole Grain Treatment:Whole Grain Treatment:Whole Grain Treatment:Whole Grain Treatment:Whole Grain Treatment:Whole Grain Treatment:Whole Grain Treatment:Whole Grain Treatment:Whole Grain + Resistant Starch Treatment:Whole Grain + Resistant Starch Treatment:Whole Grain + Resistant Starch Treatment:Whole Grain + Resistant Starch Treatment:Whole Grain + Resistant Starch Treatment:Whole Grain + Resistant Starch Treatment:Whole Grain + Resistant Starch Treatment:Whole Grain + Resistant Starch Treatment:Whole Grain + Resistant Starch Ceramide (d34:1) [M+HAc-H]-_Ceramide (d34:1) [M+Cl]- Cer 34:1;O2 12943 11878 13901 12029 15296 15042 15695 16944 17808 8671 9282 8352 8637 8737 11089 12883 11556 12140 14133 14667 12541 14191 16565 14459 13309 13340 7612 12135 8131 8275 10326 9404 10992 10572 Ceramide (d40:1) [M+Cl]- Cer 40:1;O2 5375 4048 5524 5147 5358 5546 6353 7427 7989 4783 3536 3763 3276 4152 5745 6054 4626 5207 5618 7034 6224 5018 7788 6689 5684 6390 2461 5168 4569 4362 4372 4316 5697 4100 Ceramide (d41:1) [M+Cl]- Cer 41:1;O2 3756 3333 4087 3895 3646 4020 4475 5157 4886 4523 3671 4044 3059 4232 6114 4627 3557 4605 4418 5183 4912 3715 6199 5122 4954 5612 2621 4805 4131 4126 3732 4399 5624 3938 Ceramide (d42:1) [M+HAc-H]-_Ceramide (d42:1) [M+Cl]- Cer 42:1;O2 37828 29830 39265 38352 37073 35387 45281 49798 45399 32634 27792 26998 24209 33952 43671 37832 33191 36570 38752 46604 47696 34090 51472 46741 40375 46001 20524 39315 31772 32394 30663 41232 40560 30769 Ceramide (d42:2) [M+Cl]- A_Ceramide (d42:2) [M+HAc-H]- A Cer 42:2;O2 18211 13690 18234 17243 18750 18926 20499 24726 24718 12522 10607 10012 9573 13004 15465 17285 14729 17569 18937 22942 21578 17119 25436 20041 15315 20667 8020 17132 15201 13389 13414 15325 17402 14079 Ceramide (d43:1) [M+Cl]- Cer 43:1;O2 4318 3375 4912 4607 3270 3325 4350 5539 4361 3704 2734 2639 2832 4034 4282 3630 3489 3464 4030 4379 4912 3097 4993 4309 3954 4515 2118 4035 2978 3278 3534 4762 4002 3012 FA (12:0) [M-H]- (lauric acid) Lauric acid 3446 2285 2175 2887 3059 2864 2531 2663 2399 3182 3159 2745 2318 2673 4328 4510 4039 3696 4106 3145 2200 FA (14:0) [M-H]- (myristic acid) Myristic acid 25631 16081 24168 24162 23164 28871 13534 33608 17330 29881 15120 28883 21885 18488 25150 18406 34565 14850 30099 18667 29562 29953 21644 27903 12837 36193 15309 37577 14845 27267 26827 18472 29255 15563 FA (14:1) [M-H]- (physeteric acid) Physeteric acid 2635 3337 2800 2041 4232 4993 3011 3121 2556 4053 3775 3748 3479 2345 3781 3925 2674 2330 3083 FA (15:0) [M-H]- (pentadecylic acid) Pentadecylic acid 4707 3036 3096 3531 3356 3420 2637 3907 2823 4466 3462 3976 3775 3554 4661 3352 4176 2849 3791 2969 3632 4167 3711 4497 2549 4827 3023 5359 3490 3883 3763 3595 4452 2914 FA (16:0) [M-H]- (palmitic acid) Palmitic acid 560556 348002 517001 450420 405275 541112 282433 579544 333469 576887 303144 566289 441977 382755 533000 446511 605807 253604 526389 323067 449963 563801 440023 600977 260536 702557 374802 718174 314970 522784 532521 342788 533174 297759 FA (16:1) [M-H]- (palmitoleic acid) Palmitoleic acid 47693 16701 70511 45868 56672 123148 17583 122794 25779 99868 7281 92166 38947 26079 62528 13614 155224 14739 104775 22608 77250 106772 22519 39177 8386 105797 13316 121619 11208 39461 67462 22657 107558 19148 FA (17:0) [M-H]- (margaric acid) Margaric acid 15432 11561 12053 12056 12594 10881 8417 12784 10175 15632 11442 14663 12384 13492 13983 13935 13355 9900 11459 11619 11004 12379 13731 16589 9150 17160 11402 16943 11994 15523 14463 12262 13073 12344 FA (17:1) [M-H]- (heptadecenoic acid) Heptadecenoic acid 2671 2168 2004 3521 3540 5267 3715 2072 3254 4250 3025 2919 3533 3055 3939 4223 2016 2308 2904 3579 FA (18:0) [M-H]- (stearic acid) Stearic acid 1575128 1107744 1303945 1171563 1175803 1012199 786927 1191111 955896 1297333 1084168 1266524 1151090 1141202 1243426 1500453 1158632 892883 1112780 1022245 1022370 1256170 1449006 1805970 917137 1673688 1232641 1672510 1119044 1653993 1395581 1134709 1098376 1060292 FA (18:1) [M-H]- (oleic acid) Oleic acid 400541 169400 589134 461437 430831 771545 196090 748136 247242 881236 91946 685617 363371 288988 559298 171067 908957 137864 712287 241356 714557 799903 264626 446811 132081 856287 134854 824964 160155 353780 526241 276479 795616 188673 FA (18:2) [M-H]- (linoleic acid) Linoleic acid 166199 70390 267040 168255 201651 377644 79545 348265 94464 441584 51401 381669 199303 144549 353191 82551 495376 73075 353733 92664 284177 438052 112217 225915 77334 371714 68841 437587 64762 160581 254579 141533 419288 91265 FA (18:3) [M-H]- (linolenic acid) Octadecatrienoic acid 6140 2796 6376 6107 5096 9215 3856 9964 3760 8823 2169 7936 5116 4226 8349 3377 11146 3120 9657 3721 8758 9440 4752 5715 2539 10046 2026 10448 2259 5131 6828 4272 9550 3172 FA (20:0) [M-H]- (arachidic acid) Arachidic acid 21976 14788 16086 14629 14757 11328 9538 13957 11452 14599 13554 15469 12843 13494 14908 20081 12797 10171 11939 12257 10914 14590 19189 28054 11544 21056 16624 21903 13412 21445 16519 13669 11674 12602 FA (20:1) [M-H]- (eicosenoic acid) Eicosenoic acid 10289 5395 10207 10074 9395 10357 8019 14197 7759 15263 5343 12302 9139 10112 13481 6847 13427 6965 15658 9119 14775 15334 10592 17266 9636 19562 5214 18923 7836 12990 10817 12180 16112 8568 FA (20:2) [M-H]- (eicosadienoic acid) Eicosadienoic acid 4000 4795 4473 4339 4495 3477 5860 2847 5824 2245 5399 3534 4389 5986 3129 6473 3100 6108 2794 5465 6250 3830 6309 3870 6974 2235 8786 3335 3889 4103 4662 6083 3261 FA (20:3) [M-H]- (homo-gamma-linolenic acid) Dihomo-gamma-linolenic acid 5448 3397 6023 5075 4901 6519 5069 7699 3951 5615 2600 4280 4003 4700 6217 3176 6428 2818 6214 3521 4875 5687 3653 8003 4668 5776 2237 5869 3132 3966 4485 5203 5232 3317 FA (20:4) [M-H]- (arachidonic acid) Arachidonic acid 178358 101340 127476 96982 168978 106449 173382 193106 112184 184356 128243 147259 74223 137452 215626 158745 176234 128654 176448 80607 146459 194985 140115 199165 106400 180209 64029 219115 137178 94284 75075 223389 173086 146044 FA (22:0) [M-H]- (behenic acid) Behenic acid 6419 4407 4535 4053 4277 3019 2985 4096 3676 4040 3675 3751 3282 4009 4727 5230 3608 3300 4148 3643 2783 3895 5356 6834 3302 5284 4319 5550 3660 5510 3991 4510 3868 3555 FA (22:1) [M-H]- (erucic acid) cis-Erucic acid 2568 2626 2290 3270 3573 2046 2866 3452 3116 3669 3656 3258 2511 3241 3752 3981 2651 2398 3416 2019 2646 3265 3692 5836 2801 3753 2576 4757 3710 2429 2397 4499 3816 2490 FA (22:6) [M-H]- (docosahexaenoic acid) Docosahexaenoic acid 10711 5858 10194 7790 9638 9853 9219 13277 7301 11063 7077 8299 6592 8299 11230 7680 13643 10494 13155 6589 12852 11244 9964 16787 8546 13664 5610 17244 6917 9385 7659 10332 12622 8782 FA (24:0) [M-H]- (lignoceric acid) Lignoceric acid 8201 4633 4977 5591 4511 4094 4811 5358 4628 5670 4558 4046 4820 5289 6373 5146 3877 4060 4855 5303 4264 4485 5981 7852 4927 5780 4276 6264 5004 6194 3936 5888 6010 3882 FA (24:1) [M-H]- (nervonic acid) Nervonic acid 3983 2952 3775 4177 3519 3838 4441 5851 3298 5251 3117 3586 4184 4624 7015 3979 3375 3809 5223 4272 4028 4030 4909 7333 4909 6146 5714 3774 6997 2940 5961 6165 3053 LPC (16:0) [M+HAc-H]- LPC 16:0 126507 140386 119824 150822 119448 101025 130895 130034 129365 113163 128493 105897 100540 140189 141933 132825 103323 131895 126496 127337 132227 99562 137652 131812 113569 121863 90912 132596 110096 107002 98001 147177 116395 115172 LPC (16:1) [M+HAc-H]- LPC 16:1 3618 4776 2908 4635 2848 2417 3710 3796 3558 2096 2614 2915 2555 2806 2619 2899 3471 3366 2339 3213 4188 2387 2871 3207 2337 2495 3267 3369 2864 LPC (18:0) [M+HAc-H]- A_ LPC 18:0 142005 124497 135338 139142 119320 113053 157906 167535 156282 119547 119251 106716 95958 130663 140460 129820 112100 141501 136289 137588 144036 105127 154684 163973 136635 129503 91358 139216 113753 112932 104377 147612 117282 121225 LPC (18:1) [M+HAc-H]- LPC 18:1 40639 40661 33853 46349 28219 24087 39081 44084 38867 25686 24304 19724 19903 30323 33150 26924 30245 33755 33073 37071 37271 26743 40773 51391 38293 31684 18993 33462 29472 30159 23645 38771 34911 31808 LPC (18:2) [M+HAc-H]- LPC 18:2 24090 27349 22715 30557 21906 18762 26265 29883 23851 22450 21593 18501 19877 24260 31039 19784 24429 24122 25049 27674 29109 19511 29971 43978 30107 25471 17810 28436 26319 23099 19610 33718 28338 24569 PC (32:0) [M+HAc-H]- PC 32:0 7514 7894 7529 9609 10361 8295 7758 8338 7883 7812 7380 6766 8540 8450 8679 8229 7251 7783 7801 10793 9654 10928 8740 8003 7976 7663 6015 8013 9966 7832 7506 8568 8050 7596 PC (34:0) [M+HAc-H]- PC 34:0 5199 5353 5038 5715 6465 5840 5737 5813 6207 4874 4427 5073 4943 4981 5772 5555 4921 5806 5522 6552 6332 5861 6522 6275 5659 5483 4096 5871 6172 5210 4915 5444 5310 5071 PC (34:1) [M+HAc-H]- PC 34:1 26464 29236 26281 27680 25489 25101 25800 29556 28005 23019 24820 22306 22308 25502 26798 25410 23771 24816 25320 27309 26664 23875 26957 25712 23338 26117 20771 26532 22993 25118 21995 27070 23109 24565 PC (34:2) [M+HAc-H]- PC 34:2 28125 34480 30964 32674 31759 29415 30701 35036 31197 34320 33977 33082 30088 32467 38131 30902 31637 33438 34111 33439 35025 28608 34156 37419 32692 33895 34013 37191 32159 32758 30154 42871 34107 32498 PC (34:3) [M+HAc-H]- PC 34:3 3363 4176 3367 4096 3481 2953 3246 4785 3856 2763 2434 2434 2226 3044 3391 2523 3213 3011 3318 4025 3822 3511 3456 4675 3196 3510 2529 3678 3214 3561 2509 5148 3825 3292 PC (34:4) [M+HAc-H]- PC 34:4 4459 4419 4277 5076 4497 4835 4166 5778 5386 2694 2627 2573 2912 3051 4150 3153 3892 3507 4188 4849 5058 4169 3999 5112 4068 3979 2214 3890 2789 3568 3242 4451 3694 3079 PC (36:1) [M+HAc-H]- PC 36:1 15528 15153 16287 15345 13522 14590 16274 18127 18593 12406 10917 9999 11106 12874 14441 13522 14207 14276 14867 15572 16472 14235 16204 16988 15001 14901 10922 14108 13151 13276 12396 15197 14772 14107 PC (36:2) [M+HAc-H]- PC 36:2 24676 27330 26950 27287 24230 23450 27940 30358 27241 27980 26069 23512 25438 28640 31756 26397 26310 25991 26745 27891 30475 24841 30285 38311 30979 30510 24480 31235 28326 27966 24477 34360 29899 27607 PC (36:3) [M+HAc-H]- A PC 36:3 10717 13256 10705 13368 14404 13034 14066 13806 14250 9709 8540 6398 8415 12517 13456 12423 11134 10153 13238 13185 11891 11257 12883 18142 15279 12689 9352 12674 11703 12601 10769 13303 13664 11574 PC (36:4) [M+HAc-H]- A PC 36:4 94939 101044 98227 113009 100979 92593 93198 103811 106085 73995 80613 72428 90539 87694 94998 88429 80469 91043 100176 97859 108478 96758 89741 95366 88528 94465 70018 95869 76633 88949 85208 86449 80733 82981 PC (36:4) [M+HAc-H]- B PC 36:4 2521 3069 2347 3653 2198 2121 2984 3905 2687 3316 3065 2329 2880 4104 5076 2774 3008 2381 2865 3370 3303 2761 3799 6995 4846 3437 2925 3113 3321 2475 5213 4625 2493 PC (36:5) [M+HAc-H]- A PC 36:5 4250 6024 2969 5249 3666 3505 3284 4058 3695 2439 2757 3095 3029 3302 2784 2845 2873 3089 3899 3353 3906 2969 4402 3438 2887 2083 2833 2754 3484 2399 2977 3335 2796 PC (37:4) [M+HAc-H]- PC 37:4 4060 4007 4554 4867 4707 4477 4348 4301 4223 4762 4772 4620 4958 5619 5921 5081 4405 5013 4890 4978 5614 5426 4907 5568 6226 5587 4506 6152 4892 5465 5570 5360 4837 5150 PC (38:3) [M+HAc-H]- PC 38:3 4243 4744 4663 4029 3925 4104 4604 5268 5078 3136 3248 3164 3115 3348 3952 3377 4229 4151 3888 4785 5096 3788 4139 5835 4706 3526 3126 4237 3590 3564 3622 5076 4303 3700 PC (38:4) [M+HAc-H]- A PC 38:4 114839 94764 123343 120348 115706 108688 129100 137607 143604 81587 76992 76331 86699 86254 102886 96604 99371 108022 118961 113627 143626 103704 123056 134343 108841 109064 72556 115463 91918 96136 100241 102545 94429 94130 PC (38:5) [M+HAc-H]- A PC 38:5 25036 30546 25204 32462 22671 20976 23180 27171 28468 13944 12323 10042 14894 16990 17424 16678 22688 22410 23881 26217 29694 27126 24806 36513 32133 24559 13879 23195 19562 22378 20062 20302 21836 20408 PC (38:6) [M+HAc-H]- PC 38:6 13408 14980 13834 15023 17594 15558 13933 15446 15057 12460 14204 12581 14112 14015 14691 15232 13909 15604 16339 15580 18309 15191 15668 14315 12969 14186 11206 15917 12197 13986 13950 14152 13810 12731 PC (40:4) [M+HAc-H]- PC 40:4 5190 5399 5447 5263 3808 4264 5695 5555 5761 5428 5474 4812 4339 4997 5322 4981 3483 3729 4034 3728 4129 4046 4086 3935 3646 3954 2842 3242 3508 3619 3102 3558 4115 3456 PC (40:5) [M+HAc-H]- A PC 40:5 10268 10123 9899 10325 8176 9409 11883 11139 11891 9735 9179 7982 7217 8657 10080 8350 5776 7301 8338 7505 7966 8561 8827 6154 5240 7281 4237 4023 5672 5579 5776 5115 6995 6580 PC (40:6) [M+HAc-H]- B PC 40:6 14257 14242 15554 13009 15776 15368 15179 15698 15769 12126 12343 12055 11828 12963 12850 13711 14490 15590 15464 14588 17505 13795 15859 16297 14039 15156 12526 16429 12980 13807 13330 13651 14665 13838 PC (p-36:3) or PC (o-36:4) [M+HAc-H]- PC P-36:3 or PC O-36:4 5060 4642 4763 4771 4258 4602 5171 5399 5955 4358 4611 3698 4284 4579 5017 5251 4400 4551 5109 5188 4899 4725 6133 4646 4041 4839 3431 4677 4444 3834 4218 4229 3970 3978 PC (p-38:4) or PC (o-38:5) [M+HAc-H]- A PC P-38:4 or PC O-38:5 4214 4689 4342 4377 3646 4210 4490 4558 4695 3733 3108 2939 3505 3768 4442 3838 3654 4047 4189 4143 3779 4082 4762 3713 3691 4036 2992 3944 3562 3266 3634 3275 3590 3824 PE (38:4) [M-H]- B PE 38:4 4994 4347 5069 4326 4742 3702 4521 4775 3587 2113 2322 2527 2408 2932 3020 3160 3726 4432 4476 6755 4934 3870 5595 3514 4782 2170 4212 3354 4349 3458 5036 3996 2819 PE (38:6) [M-H]- PE 38:6 2389 2681 2667 2881 2283 2034 2323 2518 2767 2298 4554 2784 2541 2225 SM (d32:1) [M+HAc-H]- SM 32:1;O2 2125 2248 2401 2457 2066 2046 SM (d34:1) [M+HAc-H]- SM 34:1;O2 53284 50993 55499 50647 54015 56341 55996 57884 61713 43597 49189 44902 45705 46830 50481 53120 46239 53676 56089 50719 50833 46577 52797 46669 44953 47225 36504 47953 38256 41258 45107 44846 41493 43346 SM (d34:2) [M+HAc-H]- SM 34:2;O2 6215 5591 6328 5962 5957 6490 6699 6835 7704 5172 5950 5016 5293 5230 6548 5797 5590 5982 7028 6460 6669 5599 5488 5535 5259 5486 4212 6652 4536 4962 5222 5787 4591 5032 SM (d36:1) [M+HAc-H]- SM 36:1;O2 3243 2830 2662 2142 2534 2854 3279 3150 3663 2458 2775 2751 2336 2756 2568 2711 2531 3350 2932 2718 2786 2258 2518 2008 2338 2804 2302 2555 2275 2336 2619 2417 2427 2605 SM (d40:1) [M+HAc-H]- SM 40:1;O2 9625 9269 9588 8996 9073 10445 9363 10170 10141 8859 9293 8780 8567 9593 10586 9342 8577 9542 10198 9596 9437 8839 9158 8816 8096 8960 7540 9689 7873 7998 7827 8777 8979 8605 SM (d40:2) [M+HAc-H]- A SM 40:2;O2 3987 3894 4027 3720 3647 3541 3964 4683 5334 3328 3205 3060 3267 3820 3824 3579 3911 4373 4239 4522 4130 3350 4029 3831 3369 4315 3056 4161 3280 3243 3420 3610 3538 4062 SM (d42:1) [M+HAc-H]- SM 42:1;O2 21606 20348 23891 22965 21174 23685 23470 26584 26259 23506 23050 21650 21578 24553 28377 22462 21214 24350 26678 23874 28498 22234 22020 22098 23121 24316 17594 24826 21047 20176 21521 26509 22397 21872 SM (d42:2) [M+HAc-H]- A SM 42:2;O2 24464 24727 24783 25373 24195 25367 26257 26961 29131 20116 20822 18946 19313 21823 23309 22796 22808 25568 27124 25745 24901 21910 24188 22232 20281 24087 16803 23834 21436 20178 20933 23397 21605 22091 SM (d42:3) [M+HAc-H]- SM 42:3;O2 5150 6556 4890 5201 5117 5521 5183 5426 5770 4726 5801 4750 4895 5394 5624 5109 4854 5052 5815 5316 5316 5039 4724 4443 4619 5131 4430 5660 5107 4559 4615 4944 4644 5445