Data for (Study ST003085)

(Analysis AN005044)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2F3
"1,2-Dinitrobenzene" 1.2313 1.2346 0.3787
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine 1.5930 1.1129 0.0588
(.+/-.)-1-Amino-2-propanol 1.3205 1.4272 0.0031
"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine (1)" 1.3005 1.2387 0.2811
"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine (2)" 1.6683 0.9087 0.2306
"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine (3)" 1.3266 1.1622 0.3483
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one (1)" 1.3198 1.2668 0.2179
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one (2)" 1.4768 1.1445 0.1716
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one (3)" 1.3020 1.3716 0.1018
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one (4)" 1.2263 1.3676 0.2081
1-(beta-D-ribofuranosyl)thymine (1) 1.1945 1.2515 0.4054
1-(beta-D-ribofuranosyl)thymine (2) 1.4447 1.0992 0.2748
1-METHYLADENOSINE 1.4258 1.3033 0.0279
1-Methylguanine 1.4313 1.3143 0.0059
1-METHYL-L-HISTIDINE 1.3141 1.4293 0.0088
"1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol (1)" 1.3026 1.1984 0.3320
"1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol (2)" 1.4516 1.2388 0.0794
1-Nitrosopiperidine 1.2326 1.2139 0.4047
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine 1.9124 0.8169 0.0275
"1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione" 1.3176 1.3847 0.0636
1-Piperideine 1.1498 1.5333 0.0891
1-(sn-glycero-3-phospho)-1D-myo-inositol 1.3866 1.3429 0.0274
1-Vinylimidazole 1.4531 1.1772 0.1597
"2,3,4,9-Tetrahydro-1H-_-carboline-3-carboxylic acid" 1.2055 1.4420 0.1367
"2,3,6-Pyridinetriol (1)" 1.2474 1.4507 0.0692
"2,3,6-Pyridinetriol (2)" 1.2113 1.2390 0.3997
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (RT = 6.642)" 1.3521 1.3890 0.0118
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (RT = 8.138)" 1.2498 1.4941 0.0081
"2,4-Diamino-6-nitrotoluene (1)" 1.4760 1.1850 0.1187
"2,4-Diamino-6-nitrotoluene (2)" 1.1566 1.4975 0.1278
"2,4-Dinitrotoluene" 1.2520 1.4548 0.0576
"2,6-Diamino-4-methyleneheptanedioic acid (1)" 1.4130 1.2855 0.0686
"2,6-Diamino-4-methyleneheptanedioic acid (2)" 1.4282 1.2643 0.0767
"2,6-Diamino-4-methyleneheptanedioic acid (tail)" 1.6309 1.0689 0.0669
"2-Acetamido-2,6-dideoxy-alpha-D-galactopyranose" 1.2114 1.3457 0.2573
2-Acetamido-2-deoxy-D-gluconolactone 1.4396 1.2714 0.0520
2-Acetamido-2-deoxy-D-gluconolactone (tail) (1) 1.1438 1.4279 0.2378
2-Acetamido-2-deoxy-D-gluconolactone (tail) (2) 1.3263 1.2068 0.2893
"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid (1)" 1.4907 1.1520 0.1430
"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid (2)" 1.2836 1.2502 0.2883
"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid (3)" 1.1368 1.3375 0.3676
2-Amino-4-methylpyrimidine 1.2468 1.4424 0.0811
"2-Amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinon" 1.1567 1.3905 0.2704
2-Butyl-4-chloro-1-(2-nitrobenzyl)imidazole-5-acetic acid 1.1359 1.3157 0.3979
2^-Deoxycytidine 1.4835 1.2568 0.0129
2^-deoxymugineic acid 1.4059 1.2020 0.1895
2-formylphenylformamide 1.2694 1.4696 0.0146
2-Hydroxycinnamic acid 1.1139 1.5355 0.1341
2^-Hydroxygenistein 1.8818 0.8253 0.0571
2-Hydroxymethylclavam 1.6081 0.9897 0.2029
2-Keto-glutaramic acid 1.3983 1.3119 0.0530
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propyl palmitate 1.7780 0.9348 0.0495
"(2R,6S)-2,6-Diamino-3-hydroxyheptanedioic acid" 1.3218 1.3096 0.1581
"(2R,6Z)-2-Hydroxy-6-(hydroxymethylene)-2,5-dimethyl-4-cyclohexene-1,3-dione" 1.5021 1.1095 0.1846
(2S)-2-Amino-8-hydroxyoctanoic acid 1.4225 1.3019 0.0341
"(2S,3R,5S)-3-(2-Aminoethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (1)" 1.2416 1.3895 0.1584
"(2S,3R,5S)-3-(2-Aminoethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2)" 1.3150 1.3729 0.0828
"(2S,3R,5S)-3-(2-Aminoethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (3)" 1.3280 1.2479 0.2321
3-(1H-Imidazol-1-yl)-2-oxopropanoic acid 1.3426 1.2854 0.1626
"3-amino-4,7-dihydroxycoumarin" 1.2862 1.3407 0.1641
3-beta-D-glucopyranuronosyloxy-5-methylisoxazole 1.2079 1.2206 0.4286
3-Buten-1-amine 1.2893 1.4185 0.0563
"3^-Deoxy-3^-{(Z)-[(2E)-3-(4-{[6-O-(2,6-dideoxy-2-methyl-3,4-di-O-methyl-beta-L-gulopyranosyl)-beta-D-arabino-hexofuranosyl-5-ulose]oxy}-3-hydroxyphenyl)-1-hydroxy-2-methyl-2-propen-1-ylidene]amino}-N,N-dimethyladenosine" 0.5276 2.1790 0.0578
3^-DEOXYTHYMIDINE (1) 1.2578 1.2379 0.3390
3^-DEOXYTHYMIDINE (2) 1.4885 1.1456 0.1545
3-Hydroxylidocaine 1.5736 1.1477 0.0382
3-METHYL-L-HISTIDINE 1.2256 1.5068 0.0235
3-methylthymine 1.3760 1.2726 0.1352
3-Thiomorpholinecarboxylic acid (1) 1.5054 1.2416 0.0040
3-Thiomorpholinecarboxylic acid (2) 1.5779 1.1685 0.0049
3-ureidopropionate 1.4242 1.3188 0.0093
4-(1-Methyl-2-pyrrolidinyl)-3-oxobutanoic acid 1.3280 1.3672 0.0730
4-{[(3S)-4-Amino-3-hydroxybutyl](hydroxy)amino}-4-oxobutanoic acid (1) 1.7780 0.9283 0.0583
4-{[(3S)-4-Amino-3-hydroxybutyl](hydroxy)amino}-4-oxobutanoic acid (2) 1.4650 1.1989 0.1147
4-{[(3S)-4-Amino-3-hydroxybutyl](hydroxy)amino}-4-oxobutanoic acid (3) 1.4444 1.2625 0.0574
4-Amino-4-deoxypentopyranose 1.2110 1.3164 0.2968
4-Aminobenzoic acid 1.1891 1.3657 0.2602
4-Hydroxy-3-nitrosobenzamide 1.1116 1.3616 0.3691
4-Hydroxy-3-nitrosobenzamide (tail) 1.1319 1.4104 0.2770
4-Hydroxybenzaldehyde 1.1101 1.5306 0.1458
4-Hydroxyphenylacetylglycine 1.2482 1.4649 0.0492
4-IMIDAZOLEACETATE 1.2969 1.1793 0.3652
4-Imidazolemethanol 1.4899 1.1296 0.1740
4-Methyleneglutamine (1) 1.3865 1.2028 0.2142
4-Methyleneglutamine (2) 1.2511 1.4015 0.1298
4-(Methylthio)-2-oxobutyric acid 1.4285 1.3202 0.0017
"5-(2^-formylethyl)-4,6-dihydroxypicolinic acid" 1.2722 1.3164 0.2151
5-Acetamidopentanoic acid 1.3094 1.3322 0.1445
5-guanidino-3-methyl-2-oxopentanoic acid (1) 1.4585 1.2788 0.0170
5-guanidino-3-methyl-2-oxopentanoic acid (2) 1.3977 1.2187 0.1782
5-Hydantoinpropionic acid 1.3442 1.2644 0.1886
"5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde" 1.2256 1.2231 0.4017
5-Methylcytidine 1.3641 1.3776 0.0112
5-METHYLCYTOSINE 1.2938 1.3221 0.1788
5-methyldeoxycytidine 1.5379 1.1712 0.0546
5-Nitro-o-toluidine 1.4094 1.2237 0.1558
(5Z)-5-Hydroxy-5-({(1Z)-1-hydroxy-1-[(2-oxoethyl)imino]-2-propanyl}imino)norvaline (1) 1.5535 1.1499 0.0621
(5Z)-5-Hydroxy-5-({(1Z)-1-hydroxy-1-[(2-oxoethyl)imino]-2-propanyl}imino)norvaline (2) 1.5798 1.1106 0.0794
6-[8-Hydroxy-1-(hydroxymethyl)octahydro-2H-quinolizin-3-yl]-2-piperidinone 1.4351 1.3031 0.0158
"6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol" 1.2823 1.4528 0.0199
6-Methylnicotinamide 1.1897 1.4443 0.1547
"(6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid" 1.2313 1.2370 0.3756
6-tuliposide A 1.3684 1.2667 0.1532
7-Methylguanosine 1.3665 1.2624 0.1615
8-Hydroxyalanylclavam (1) 1.4167 1.2079 0.1672
8-Hydroxyalanylclavam (2) 1.2466 1.2047 0.3983
"9-(2-Deoxypentofuranosyl)-1,9-dihydro-6H-purin-6-one" 1.3990 1.3341 0.0225
Aceglutamide (1) 1.4329 1.2429 0.0989
Aceglutamide (2) 1.3579 1.3408 0.0685
Aceglutamide (3) 1.4117 1.2510 0.1164
Acetylarginine 1.3693 1.3740 0.0089
acetylaspartate 1.2939 1.3927 0.0846
acetylcarnitine 1.2960 1.4535 0.0007
Acetylcarnitine 1.2799 1.4510 0.0255
adrenaline (1) 1.1957 1.5433 0.0147
adrenaline (2) 1.3700 1.1492 0.3077
afegostat 1.2812 1.4184 0.0672
ALA-GLU (1) 1.3583 1.2835 0.1443
ALA-GLU (2) 1.3014 1.4156 0.0441
ALA-GLU (3) 1.5350 1.1078 0.1429
Ala-Leu (1) 1.3238 1.4201 0.0081
Ala-Leu (2) 1.3060 1.4299 0.0188
alanine 1.3559 1.3819 0.0162
Alanylclavam 1.3343 1.1822 0.3113
Alanyl-L-glutamine 1.3080 1.4102 0.0424
Allysine 1.3053 1.3441 0.1342
alpha-ketoadipic acid 1.3680 1.1688 0.2842
Alpha-Lipoic Acid_unc 1.7055 1.0360 0.0114
amobarbital 1.3147 1.4141 0.0283
AMP 1.5189 1.2240 0.0095
AMPA 1.3529 1.3629 0.0456
arginine 1.3701 1.3488 0.0415
argininosuccinate 1.2499 1.4968 0.0044
Argininosuccinic acid 1.3027 1.3492 0.1308
Asarone 1.3077 1.1593 0.3773
asparagine 1.0586 1.6828 0.0114
Aspartame 1.1359 1.6111 0.0041
betaine 1.1967 1.5411 0.0162
Butabarbital 1.6342 1.0186 0.1297
Butyrylcarnitine 1.3188 1.4265 0.0063
BZ7175000 (1) 1.2226 1.4032 0.1656
BZ7175000 (2) 1.3921 1.1660 0.2559
C10 H10 N6 O4 1.2406 1.1949 0.4193
C10 H11 N5 O6 1.1705 1.3585 0.2947
C10 H11 N O7 1.1871 1.2659 0.3960
C10 H11 N O8 1.2110 1.2286 0.4138
C10 H11 N O9 1.2302 1.2429 0.3693
C10 H12 O2 S2 1.7742 0.9663 0.0126
C10 H13 N3 O7 1.4403 1.2970 0.0169
C10 H13 N5 O2 S 1.5042 1.2354 0.0139
C10 H13 N O6 1.1722 1.1619 0.5545
C10 H13 N O7 1.2408 1.2384 0.3611
C10 H14 N2 O7 1.3644 1.2122 0.2312
C10 H14 O2 S2 1.2234 1.2194 0.4095
C10 H15 N3 O6 1.3142 1.4214 0.0193
C10 H15 N3 O7 1.3501 1.3627 0.0496
C10 H16 N2 O6 1.4002 1.1416 0.2776
C10 H16 N4 O 0.7494 1.2192 1.0418
C10 H17 N3 O4 (1) 1.5541 1.1648 0.0414
C10 H17 N3 O4 (2) 1.5275 1.1942 0.0378
C10 H17 N3 O4 (3) 1.2636 1.4453 0.0548
C10 H17 N3 O7 1.2607 1.4692 0.0268
C10 H17 N O9 1.2896 1.1834 0.3694
C10 H19 N3 O4 1.3930 1.3501 0.0092
C10 H19 N3 O5 1.3109 1.4217 0.0233
C10 H19 N O10 1.2189 1.2901 0.3214
C10 H20 N9 O2 P S 1.1939 1.5466 0.0127
C10 H21 N10 O P S2 1.5416 1.0554 0.2041
C10 H21 P3 1.1281 1.3571 0.3530
C10 H23 N4 O2 P S3 1.3502 1.2197 0.2402
C10 H24 N5 O14 P 1.2545 1.2040 0.3886
C10 H24 N9 P 1.3438 1.1199 0.3816
C10 H25 N6 O13 P 1.4181 1.2302 0.1356
C10 H27 N4 O15 P S 1.1933 1.2740 0.3769
C10 H8 N3 O3 P 0.7630 1.9221 0.0865
C11 H10 N10 S2 1.0747 1.5862 0.1188
C11 H11 N7 O 1.4124 1.2426 0.1266
C11 H12 N6 O2 1.3600 1.1814 0.2781
C11 H13 N O8 1.2295 1.2450 0.3674
C11 H14 N2 O8 1.2303 1.2950 0.2995
C11 H14 O11 1.3584 1.1539 0.3168
C11 H16 N2 O3 S2 1.2451 1.2876 0.2898
C11 H16 N2 O6 1.2447 1.2326 0.3636
C11 H16 N2 O6 (1) 1.2981 1.1929 0.3454
C11 H16 N2 O6 (2) 1.4518 1.2024 0.1278
C11 H17 N3 O5 1.4136 1.1759 0.2139
C11 H17 N7 O P2 S 1.2420 1.2306 0.3698
C11 H18 N2 O3 S2 (1) 1.2582 1.2684 0.2979
C11 H18 N2 O3 S2 (2) 1.3534 1.3572 0.0526
C11 H18 O3 S2 1.2461 1.2000 0.4053
C11 H19 N3 O4 1.3758 1.3431 0.0414
C11 H19 N3 O5 1.5490 1.1903 0.0142
C11 H19 N3 O S2 1.3308 1.3379 0.1084
C11 H20 N2 O3 S2 1.5252 1.1623 0.0833
C11 H21 N O11 1.2324 1.2617 0.3412
C11 H21 O13 P 1.1998 1.2496 0.4008
C11 H21 O P3 1.2511 1.2906 0.2777
C11 H22 O5 1.2358 1.4566 0.0769
C11 H23 N5 O3 1.6048 1.1363 0.0118
C11 H23 N O3 S2 1.2782 1.2002 0.3620
C11 H23 O2 P S 1.6509 1.0197 0.1058
C11 H23 O8 P 1.2385 1.2726 0.3185
C11 H25 Cl N3 O7 P 1.4716 1.1918 0.1154
C11 H26 N5 O7 P S2 1.2386 1.2157 0.3943
C11 H26 N O7 P 1.3262 1.4088 0.0199
C11 H28 N5 O12 P 1.2793 1.4271 0.0582
C11 H28 N9 O4 P S2 1.2722 1.2610 0.2891
C11 H28 N9 O P3 S 1.2797 1.1829 0.3833
C11 H30 N5 O12 P 1.2967 1.2646 0.2515
C11 H32 N9 O P3 S 1.3644 1.2265 0.2121
C11 H33 N10 O2 P S2 1.3091 1.4018 0.0521
C11 H8 N3 O3 P 1.4241 1.2996 0.0351
C12 H10 N4 O6 1.3882 1.3452 0.0221
C12 H10 N6 O4 1.4565 1.0856 0.2772
C12 H13 N O11 1.2060 1.2864 0.3434
C12 H14 N3 P S 1.2672 1.2093 0.3647
C12 H16 N4 O4 1.5526 1.1545 0.0571
C12 H17 N O12 1.2284 1.2273 0.3924
C12 H17 N O13 1.2957 1.2495 0.2731
C12 H18 N2 O2 S2 1.4862 1.0953 0.2246
C12 H19 N3 O7 1.5429 1.1512 0.0744
C12 H21 O3 P3 1.3658 1.1597 0.2993
C12 H22 N8 O2 S 1.3652 1.3827 0.0028
C12 H23 N2 O2 P S3 1.3106 1.4231 0.0217
C12 H23 N3 O5 1.1005 1.6369 0.0169
C12 H23 N5 O2 1.9590 0.7373 0.0717
C12 H23 N O5 1.2155 1.5161 0.0246
C12 H24 N3 O9 P 1.3083 1.2526 0.2521
C12 H24 N9 O4 P S2 1.2365 1.1984 0.4201
C12 H25 N O7 S2 1.2265 1.2063 0.4229
C12 H26 N3 O9 P 1.3512 1.1784 0.2938
C12 H28 N8 O4 1.2276 1.5111 0.0150
C12 H29 N5 O4 P2 1.2496 1.4732 0.0363
C12 H30 N9 P3 S 1.2577 1.4495 0.0570
C12 H31 N3 O8 P2 1.0293 1.6828 0.0506
C12 H36 N10 O7 P2 S 0.9948 1.7267 0.0379
C12 H8 N6 O2 1.3194 1.3766 0.0721
C12 H8 N6 O3 1.2412 1.2366 0.3629
C13 H11 N O11 1.2302 1.2081 0.4157
C13 H12 N4 O7 1.3342 1.1154 0.4005
C13 H12 O10 1.1978 1.1559 0.5283
C13 H16 N2 O2 S2 1.5228 1.1138 0.1511
C13 H16 N2 P2 1.1819 1.3100 0.3441
C13 H16 N8 S2 1.2839 1.4623 0.0051
C13 H18 N9 P3 1.2888 1.1777 0.3781
C13 H19 N3 O8 1.4258 1.2641 0.0802
C13 H21 N3 O8 1.1421 1.5689 0.0520
C13 H21 O P3 1.5194 1.0716 0.2120
C13 H22 N P S 1.3143 1.4203 0.0206
C13 H23 N O10 1.4021 1.1692 0.2382
C13 H23 O P3 1.1276 1.3728 0.3327
C13 H24 N2 O2 S2 1.4454 1.0850 0.2929
C13 H24 N O2 P3 1.3708 1.3392 0.0534
C13 H25 N O2 S4 1.2128 1.2977 0.3193
C13 H26 N O2 P S 1.4236 1.2929 0.0447
C13 H27 Br N8 P2 1.1305 1.3785 0.3214
C13 H27 N O7 S2 1.2672 1.1893 0.3913
C13 H28 O4 1.1611 1.3991 0.2531
C13 H32 N4 O3 P2 S2 1.4395 1.2342 0.1017
C13 H36 N9 O2 P 1.0873 1.3370 0.4343
C13 H38 N9 P 1.1948 1.4592 0.1279
C13 H9 N5 O3 1.3802 1.2275 0.1897
C14 H15 N4 P 1.4547 1.1869 0.1446
C14 H18 Cl N3 O S 1.2819 1.2038 0.3524
C14 H19 N3 O6 1.2864 1.4034 0.0802
C14 H19 N7 O3 1.7400 0.9958 0.0189
C14 H19 N O9 1.2576 1.1826 0.4130
C14 H20 N3 P3 1.4359 1.2869 0.0362
C14 H22 N O3 P S 1.5499 1.1688 0.0416
C14 H23 N3 O2 S2 1.3243 1.3295 0.1283
C14 H23 N3 O5 1.1409 1.6039 0.0069
C14 H23 O P S 1.1515 1.3185 0.3734
C14 H24 N3 O2 P S 1.3628 1.2199 0.2231
C14 H26 N5 O3 P 1.3744 1.3229 0.0702
C14 H28 N4 O S2 1.1984 1.5386 0.0172
C14 H28 N P3 1.4550 1.2838 0.0149
C14 H29 N7 O10 S 1.1955 1.5132 0.0551
C14 H33 N3 O6 S 1.0747 1.6667 0.0114
C14 H40 N9 P 1.2311 1.4452 0.0983
C15 H11 N7 O 1.1677 1.4473 0.1801
C15 H15 N4 P 1.2092 1.1961 0.4595
C15 H16 N8 O S 1.7816 0.9521 0.0217
C15 H21 N2 P S 1.5662 1.1334 0.0672
C15 H21 N O11 1.3011 1.2623 0.2487
C15 H22 N O P S 1.5835 1.0625 0.1387
C15 H22 N P S 1.4684 1.2332 0.0646
C15 H23 N5 O8 1.4564 1.2774 0.0216
C15 H24 N P3 1.6575 0.9814 0.1481
C15 H25 P S 1.4788 1.0175 0.3382
C15 H26 N2 O2 1.4277 1.2188 0.1381
C15 H26 N P S 1.2784 1.4454 0.0349
C15 H27 N5 O 1.3904 1.1114 0.3308
C15 H28 Cl N3 O9 1.2722 1.3399 0.1839
C16 H17 N4 O3 P 1.3927 1.3451 0.0162
C16 H17 N O P2 1.5406 1.0437 0.2210
C16 H20 N2 P2 1.5078 1.1083 0.1785
C16 H21 N9 O5 S2 1.2044 1.4547 0.1211
C16 H23 O8 P 1.4040 1.3282 0.0237
C16 H25 N O12 1.2993 1.2713 0.2393
C16 H27 N O12 1.3342 1.3892 0.0354
C16 H27 O8 P3 1.2497 1.3053 0.2600
C16 H29 N O9 1.5024 1.1091 0.1848
C16 H31 N5 1.3196 1.2992 0.1750
C16 H31 N O4 S4 1.2160 1.2235 0.4141
C16 H34 O4 1.2889 1.3938 0.0897
C16 H35 N5 O3 P2 1.4478 1.1942 0.1440
C16 H39 N8 O2 P 0.8655 1.6071 0.3699
C17 H12 Cl P S 1.5402 1.1606 0.0656
C17 H16 N9 O4 P S 1.4319 1.1056 0.2834
C17 H19 Cl N4 O 1.3897 1.3199 0.0539
C17 H21 N4 O4 P 1.2582 1.4686 0.0310
C17 H21 N O5 P2 1.1795 1.2739 0.3954
C17 H23 N3 P2 1.4350 1.2518 0.0842
C17 H24 N2 O P2 1.2451 1.3811 0.1651
C17 H25 N5 O 1.3871 1.1153 0.3301
C17 H28 N2 O4 1.2417 1.4406 0.0903
C17 H32 N4 O4 1.4291 1.2978 0.0308
C17 H33 N5 1.2524 1.3486 0.1987
C17 H36 N2 O2 0.9408 1.5811 0.3041
C17 H36 O4 1.3097 1.4065 0.0451
C17 H40 N9 O2 P 0.9885 1.4609 0.4008
C17 H9 Cl N O2 P 1.2381 1.2732 0.3183
C18 H18 O4 P2 1.4124 1.1135 0.2988
C18 H32 N2 O4 1.0605 1.4989 0.2542
C18 H32 N2 O5 1.3355 1.1964 0.2909
C18 H35 N5 1.3692 1.3094 0.0952
C18 H35 N S2 1.4407 1.1805 0.1718
C18 H40 N5 O2 P 1.4688 1.2238 0.0766
C19 H29 N3 O6 S 1.1773 1.5612 0.0154
C19 H35 P S 1.5076 1.1934 0.0654
C19 H37 N5 1.3543 1.2622 0.1780
C19 H44 N9 O2 P 1.0201 1.4267 0.4043
C20 H25 N O8 P2 1.3744 1.1453 0.3071
C20 H29 N O3 P2 1.2932 1.4406 0.0216
C20 H34 N2 O7 S 0.8676 1.8597 0.0304
C20 H39 N5 1.3340 1.2988 0.1563
C21 H16 O S 1.1962 1.2469 0.4092
C21 H29 N O16 1.2797 1.2068 0.3513
C21 H31 N O13 1.1976 1.5062 0.0617
C21 H34 N3 O5 P S 1.2374 1.5062 0.0086
C21 H34 N9 O2 P3 S2 1.3025 1.1770 0.3607
C21 H39 N O4 0.9924 1.7092 0.0645
C22 H12 N10 S 1.2774 1.3250 0.1967
C22 H21 N O2 S 1.2269 1.4732 0.0664
C22 H22 N6 O 1.2189 1.3499 0.2416
C22 H56 N9 O3 P 0.5905 1.9119 0.3302
C23 H13 P 1.2882 1.1679 0.3918
C23 H19 N O S 1.0524 1.6047 0.1240
C23 H43 N O5 1.0140 1.6983 0.0503
C23 H49 N7 S2 0.8438 1.8205 0.1143
C24 H52 P2 S 0.8297 1.5797 0.4542
C25 H29 N O6 P2 1.3037 1.4259 0.0272
C25 H47 N O6 0.7316 1.9894 0.0386
C26 H13 N2 P 1.2112 1.2798 0.3453
C26 H22 S 1.3461 1.3714 0.0433
C26 H52 N3 O4 P 0.4695 2.2599 0.0275
C27 H10 N2 O 1.1067 1.2817 0.4821
C27 H41 N O4 0.8800 1.8407 0.0391
C27 H45 N O S2 1.4346 1.1504 0.2200
C28 H55 N P2 1.0738 1.5511 0.1668
C28 H56 N3 O5 P 0.3212 2.4123 0.0219
C29 H38 N3 O5 P S 1.4069 1.3356 0.0100
C31 H39 N8 P 1.4891 1.0951 0.2211
C32 H22 N7 O13 P3 1.6635 1.0002 0.1150
C33 H5 N2 O15 P S5 1.5633 1.0828 0.1385
C35 H53 N5 S 0.6989 1.9998 0.0684
C35 H61 N O2 P2 0.2467 2.4880 0.0205
C35 H62 N3 O2 P S 0.7585 1.9413 0.0669
C37 H65 N O3 P2 0.2177 2.5162 0.0214
C38 H67 N5 O8 0.2589 2.4661 0.0332
C38 H73 N O13 0.6323 1.9980 0.1595
C39 H67 N O6 S 0.4057 2.2338 0.1474
C39 H75 N O13 0.2208 2.4904 0.0517
C3 H11 N10 O P 1.0645 1.3699 0.4208
C3 H2 N2 O11 P2 S 1.4180 1.2722 0.0798
C3 H2 N2 O3 P2 1.4355 1.3034 0.0147
C3 H5 N7 O S 1.4822 1.2626 0.0068
C3 H6 N3 P 0.6501 2.0779 0.0294
C3 H8 N9 O3 P 1.0230 1.4076 0.4259
C40 H34 Cl N5 S2 1.1908 1.2084 0.4678
C42 H45 Cl2 N3 S3 1.1627 1.2599 0.4366
C43 H80 N6 O7 P2 1.3460 1.3336 0.0938
C45 H75 N5 O3 P2 0.8542 1.6747 0.2949
C49 H58 O 1.1229 1.5474 0.1062
C4 H10 N9 O4 P 1.3579 1.2295 0.2168
C4 H11 N10 O2 P 1.4682 1.2638 0.0239
C4 H14 N3 O4 P 0.8860 1.8361 0.0371
C4 H14 N9 O5 P 1.3687 1.1327 0.3315
C4 H15 N10 P 1.2588 1.4744 0.0224
C4 H15 N4 O P 1.1313 1.5491 0.0928
C4 H16 N7 O4 P 1.2788 1.3882 0.1107
C4 H2 N2 O 1.4631 1.2517 0.0469
C4 H4 N6 O6 1.3449 1.1682 0.3159
C4 H9 N8 O3 P 1.1974 1.2368 0.4210
C55 H79 N O5 1.9901 0.6222 0.1836
C5 Carnitines 1.2361 1.4982 0.0210
C5 H11 N10 O2 P 1.3757 1.1599 0.2859
C5 H12 N10 O5 1.2475 1.3732 0.1723
C5 H13 N10 O2 P S2 1.1862 1.5364 0.0366
C5 H13 N10 O3 P 1.2407 1.1986 0.4142
C5 H13 N10 O5 P 0.9667 1.6966 0.1156
C5 H13 N10 O P 1.0733 1.6338 0.0572
C5 H14 N9 O4 P (1) 1.1354 1.4490 0.2208
C5 H14 N9 O4 P (2) 1.5291 1.0249 0.2613
C5 H14 N9 O6 P (3) 1.2694 1.1899 0.3876
C5 H14 N9 O P 1.2909 1.4140 0.0601
C5 H15 N6 O2 P 1.3100 1.1252 0.4198
C5 H16 N7 O5 P 1.0872 1.3612 0.4021
C5 H16 N9 O5 P 1.1421 1.1935 0.5526
C5 H17 N6 O3 P 1.2819 1.2953 0.2304
C5 H17 N6 O7 P 0.9360 1.6945 0.1594
C5 H17 N6 O8 P 1.2448 1.2407 0.3526
C5 H18 N8 O3 S3 1.3878 1.1926 0.2261
C5 H19 N10 O P S2 1.4673 1.2635 0.0255
C5 H2 N2 O 1.3912 1.3433 0.0207
C5 H4 N2 O 1.3626 1.2322 0.2069
C5 H7 N10 O2 P 1.1787 1.3058 0.3540
C5 H8 N2 O (1) 1.4459 1.1795 0.1661
C5 H8 N2 O (2) 1.2454 1.3432 0.2151
C6 H10 N2 O (1) 1.2689 1.4160 0.0869
C6 H10 N2 O (2) 1.4987 1.1404 0.1479
C6 H10 N2 O6 (1) 1.2709 1.4381 0.0546
C6 H10 N2 O6 (2) 1.2899 1.3112 0.1986
C6 H10 N9 O5 P 1.2667 1.2793 0.2720
C6 H10 N9 O6 P 1.3140 1.1598 0.3683
C6 H11 N3 O2 (1) 1.3535 1.2350 0.2153
C6 H11 N3 O2 (2) 1.4118 1.1536 0.2461
C6 H13 N10 O2 P 1.2617 1.2176 0.3610
C6 H13 N O7 1.2917 1.2507 0.2768
C6 H15 Br Cl N6 P3 1.8456 0.8119 0.1234
C6 H15 N10 O P 1.4611 1.0880 0.2679
C6 H15 N4 O9 P 1.2418 1.2758 0.3098
C6 H15 N6 O6 P 1.0767 1.4367 0.3154
C6 H16 Cl N7 O14 1.4314 1.2651 0.0713
C6 H16 N9 O2 P 1.0384 1.6289 0.1103
C6 H17 N10 O2 P 1.3553 1.3584 0.0483
C6 H17 N10 O3 P 1.4316 1.2565 0.0825
C6 H17 N6 O7 P 1.0982 1.5003 0.2020
C6 H18 N10 O3 S 2.0160 0.7016 0.0433
C6 H18 N7 O5 P 1.4198 1.3025 0.0368
C6 H19 N6 O5 P S2 1.2042 1.2374 0.4113
C6 H19 N6 O7 P 1.2560 1.2928 0.2683
C6 H20 N7 O2 P 1.3639 1.2933 0.1238
C6 H20 N7 O4 P 1.3839 1.2824 0.1115
C6 H20 N8 O2 S3 0.9389 1.6472 0.2185
C6 H23 N7 O9 P2 1.3179 1.1509 0.3749
C6 H4 N2 O3 1.2835 1.4553 0.0149
C6 H5 N O5 (1) 1.2163 1.4412 0.1233
C6 H5 N O5 (2) 1.2979 1.4156 0.0486
C6 H6 N2 1.4149 1.2646 0.0940
C6 H7 Cl N5 P 1.7220 0.9369 0.1216
C6 H8 N6 O5 1.2432 1.2330 0.3651
C6 H9 N7 O4 (1) 1.4346 1.0814 0.3120
C6 H9 N7 O4 (2) 1.3518 1.1475 0.3342
C6 H9 N8 O3 P 1.2295 1.2422 0.3710
C6 H9 N8 O5 P 1.5095 1.0888 0.2023
C6 H9 N O4 S 0.9696 1.7704 0.0134
C6 H9 N O7 1.5130 1.0228 0.2855
C7 H10 N2 O2 (1) 1.3703 1.1986 0.2415
C7 H10 N2 O2 (2) 1.4741 1.1050 0.2279
C7 H10 N2 O2 (3) 1.4275 1.1794 0.1908
C7 H10 N2 O2 (4) 1.3909 1.2324 0.1689
C7 H12 N2 O2 1.3904 1.2543 0.1405
C7 H12 N2 O5 1.2005 1.2925 0.3428
C7 H12 N4 0.8562 1.1444 0.9992
C7 H12 N4 O2 1.9728 0.7512 0.0347
C7 H12 N6 O8 1.3451 1.1896 0.2870
C7 H12 N9 O7 P 1.2677 1.3445 0.1837
C7 H13 N2 O5 P 1.3001 1.2048 0.3267
C7 H14 N4 O 1.9102 0.8343 0.0074
C7 H14 N6 P2 S 1.2778 1.2142 0.3440
C7 H14 N9 O6 P 1.2835 1.0603 0.5416
C7 H15 N10 O4 P (1) 1.2738 1.1765 0.3995
C7 H15 N10 O4 P (2) 1.5423 1.0390 0.2250
C7 H15 N7 O S 1.1527 1.5854 0.0159
C7 H16 N7 O5 P 1.4021 1.2141 0.1785
C7 H17 Cl N6 O4 1.2524 1.2351 0.3500
C7 H17 N2 O7 P 1.3254 1.1642 0.3472
C7 H18 N7 O6 P 1.3771 1.3555 0.0232
C7 H19 N10 O4 P 1.4466 1.2956 0.0104
C7 H19 N2 O2 P3 1.2271 1.4954 0.0367
C7 H19 N6 O7 P 1.1626 1.3138 0.3648
C7 H20 N5 O3 P S2 1.1961 1.2249 0.4387
C7 H21 Br N4 O P2 2.1401 0.5339 0.1013
C7 H21 N10 O2 P3 1.2164 1.4996 0.0453
C7 H21 N5 O8 1.1806 1.3516 0.2904
C7 H21 N6 O2 P 1.3737 1.3112 0.0868
C7 H21 N6 O P 1.3084 1.3910 0.0674
C7 H23 N9 O5 S 1.5037 1.2156 0.0409
C7 H25 N9 O7 P2 S2 1.4549 1.1165 0.2382
C7 H27 N10 O4 P3 1.4883 0.9415 0.4269
C7 H5 N3 O 1.3758 1.3517 0.0300
C7 H7 N5 O3 1.2687 1.4721 0.0123
C7 H8 N2 O4 1.3097 1.2616 0.2382
C7 H8 N2 O P2 S 1.4066 1.3228 0.0275
C7 H8 N6 1.3709 1.1359 0.3242
C8 H10 N2 O3 (1) 1.2846 1.2620 0.2712
C8 H10 N2 O3 (2) 1.2283 1.2900 0.3089
C8 H10 N4 0.7606 1.2053 1.0456
C8 H11 N2 O2 P 1.5218 1.2080 0.0269
C8 H11 N5 O5 S3 1.3134 1.3947 0.0559
C8 H11 N O5 1.1968 1.2388 0.4193
C8 H11 N O7 1.1927 1.3166 0.3209
C8 H12 N2 O5 S 1.0555 1.6601 0.0458
C8 H13 Cl2 N O6 1.6984 1.0203 0.0416
C8 H13 N3 O4 1.4534 1.2936 0.0040
C8 H14 N2 O3 (1) 1.3830 1.2725 0.1261
C8 H14 N2 O3 (2) 1.2361 1.3038 0.2802
C8 H14 N2 O6 1.3234 1.1183 0.4111
C8 H14 N2 O7 P2 1.3139 1.3688 0.0897
C8 H14 N6 O2 1.4878 1.1637 0.1314
C8 H15 N2 O4 P 1.3435 1.3285 0.1039
C8 H15 N3 1.2226 1.0782 0.5990
C8 H15 N8 O5 P 1.1967 1.2241 0.4389
C8 H16 N2 O6 1.3989 1.1714 0.2396
C8 H16 N3 O7 P 1.2742 1.2868 0.2521
C8 H16 N4 O2 1.9274 0.8176 0.0066
C8 H16 N6 O6 S2 1.4241 1.1853 0.1874
C8 H17 N7 O2 P2 1.2524 1.2274 0.3604
C8 H17 N7 O3 S2 1.1231 1.4186 0.2778
C8 H17 N O7 1.1688 1.2156 0.4875
C8 H18 N2 O2 1.3045 1.3705 0.1000
C8 H18 N2 O3 1.3614 1.3649 0.0316
C8 H18 N9 O6 P 1.2231 1.2089 0.4240
C8 H19 N6 O5 P 1.0843 1.6556 0.0136
C8 H19 P3 1.1479 1.3319 0.3604
C8 H20 N5 O4 P3 S 1.1835 1.2800 0.3819
C8 H20 N8 O3 P2 1.4023 1.1083 0.3193
C8 H21 N3 O3 P2 1.4640 1.1937 0.1231
C8 H21 N7 O2 P2 S 1.2143 1.2675 0.3575
C8 H21 N7 P2 S 1.1601 1.3929 0.2626
C8 H21 O P3 S2 1.2190 1.2134 0.4234
C8 H22 N4 O4 P2 1.3009 1.4318 0.0231
C8 H24 N7 P S2 1.6567 1.0532 0.0535
C8 H25 Br N8 O3 0.9200 1.7743 0.0743
C8 H5 N3 1.6661 1.0192 0.0864
C8 H8 N10 O5 1.3444 1.1090 0.3954
C8 H8 N2 O6 1.1666 1.3796 0.2717
C9 H10 N10 O 1.2995 1.2909 0.2129
C9 H10 N4 O2 1.5395 1.1775 0.0439
C9 H11 Cl N5 O4 P 1.6566 0.9787 0.1529
C9 H11 N O7 1.2253 1.2119 0.4171
C9 H12 N2 O3 (1) 1.2646 1.2239 0.3486
C9 H12 N2 O3 (2) 1.2053 1.2572 0.3833
C9 H12 N2 O4 1.1471 1.3924 0.2807
C9 H12 N2 O7 1.1172 1.3269 0.4079
C9 H12 O9 1.2181 1.2334 0.3979
C9 H14 N2 O5 (1) 1.3709 1.2925 0.1155
C9 H14 N2 O5 (2) 1.2266 1.2803 0.3241
C9 H14 N2 O5 (3) 1.4626 1.1549 0.1767
C9 H14 N2 O5 (4) 1.2917 1.2689 0.2525
C9 H14 N2 O8 1.2361 1.2216 0.3896
C9 H15 N3 O3 1.3711 1.3078 0.0948
C9 H15 N3 O4 1.2591 1.3213 0.2262
C9 H15 N3 O6 1.1012 1.6436 0.0068
C9 H15 N O7 1.2220 1.3206 0.2765
C9 H15 N O8 1.2153 1.2312 0.4048
C9 H16 N2 O6 1.4583 1.2268 0.0865
C9 H17 N3 O4 1.0929 1.6200 0.0495
C9 H17 N3 O5 1.4908 1.2564 0.0038
C9 H18 N4 O3 1.8062 0.9213 0.0301
C9 H18 N8 P2 1.3878 1.3367 0.0340
C9 H19 Cl N10 O4 1.4274 1.0058 0.4223
C9 H20 N2 O3 1.3283 1.4055 0.0216
C9 H20 O4 1.2850 1.3771 0.1172
C9 H21 N4 O11 P 1.2075 1.2422 0.4004
C9 H21 N O P2 S 1.2079 1.2206 0.4286
C9 H25 Cl N6 O3 P2 1.3915 1.2384 0.1601
C9 H26 Cl N9 O2 1.1953 1.3394 0.2871
C9 H7 N O5 1.2406 1.2297 0.3730
C9 H9 N3 O4 1.2034 1.4980 0.0648
C9 H9 N O7 1.2852 1.2269 0.3172
Calystegin B2 1.2853 1.1824 0.3765
carglumic acid 1.0746 1.4486 0.3025
carnitine 1.2422 1.5064 0.0019
choline 1.3402 1.4065 0.0045
citrate 1.2214 1.5074 0.0282
citrulline 1.2451 1.3880 0.1559
clavulanic acid 1.2893 1.1985 0.3496
clofibrate 1.3560 1.3731 0.0279
coformycin 1.2523 1.4585 0.0523
convicine 1.5277 1.1681 0.0722
Coumarin 1.1090 1.5554 0.1141
Coumarone 1.1060 1.5598 0.1123
creatine 1.4363 1.3119 0.0024
Creatine 1.8537 0.8047 0.1223
creatinine 1.2799 1.2061 0.3520
Creatinine degenerate 1.4127 1.2713 0.0880
Cysteine-glutathione disulfide 1.2322 1.5105 0.0097
cystine 1.1612 1.5833 0.0073
cytidine (1) 1.3620 1.3857 0.0030
cytidine (2) 1.7053 1.0001 0.0595
cytosine 1.3660 1.3791 0.0065
Cytosine degenerate (RT = 4.142) 1.3737 1.3444 0.0425
CYTOSINE degenerate (RT = 5.171) 1.3659 1.3661 0.0240
Dehydrocycloguanandin 1.3096 1.4381 0.0031
Dehydroglycine 1.4070 1.3261 0.0225
delta-guanidinovaleric acid (1) 1.5072 1.2302 0.0169
delta-guanidinovaleric acid (2) 1.4444 1.2643 0.0551
DEOXYCARNITINE 1.2402 1.5022 0.0101
DEOXYCARNITINE degenerate 1.4908 1.2473 0.0159
DEOXYCYTIDINE 1.3554 1.3676 0.0359
deoxyuridine (1) 1.3609 1.2235 0.2208
deoxyuridine (2) 1.2323 1.2157 0.4027
DIAMINOPIMELATE 1.2484 1.4286 0.0974
Dihydrothymine (1) 1.4509 1.2046 0.1259
Dihydrothymine (2) 1.3804 1.2544 0.1536
Dihydrothymine (3) 1.2638 1.1863 0.3998
Dihydroxymethylfuratrizine 1.3098 1.2300 0.2803
dimethylformamide 1.1683 1.5115 0.0936
dimethylglicine 1.2646 1.3015 0.2452
"DL-2,6-Diaminopimelic acid" 1.2661 1.4795 0.0059
DL-Atenolol 1.7415 0.9504 0.0774
DL-Carbidopa 1.4617 1.1630 0.1671
DL-Stachydrine 1.4247 1.3225 0.0038
D-MANNOSAMINE 1.1481 1.2861 0.4210
D-(+)-Octopine 1.3092 1.4088 0.0427
D-(+)-Pyroglutamic Acid (1) 1.3405 1.4058 0.0050
D-(+)-Pyroglutamic Acid (2) 1.0667 1.5439 0.1858
Ectoine 1.4096 1.2766 0.0851
EDDA 1.3185 1.2676 0.2186
eniluracil 1.3797 1.3296 0.0543
Enobosarm 1.3604 1.3429 0.0622
entadamide A 1.5312 1.1987 0.0268
epsilon-(gamma-Glutamyl)-lysine (RT = 10.667) 1.2059 1.5406 0.0046
epsilon-(gamma-Glutamyl)-lysine (RT = 11.658) 1.2189 1.5299 0.0017
Ethylenediaminetetraacetic acid 1.3979 1.1915 0.2141
fagomine 1.2815 1.3879 0.1075
Fasoracetam 1.4678 1.2506 0.0422
Fomepizole (1) 1.4486 1.1220 0.2392
Fomepizole (2) 1.2809 1.1954 0.3649
Formiminoglutamic Acid 1.2279 1.4930 0.0388
Fructoselysine 1.1657 1.5784 0.0078
fructosylglycine (1) 1.3593 1.3607 0.0401
fructosylglycine (2) 1.3143 1.3117 0.1653
Fumarylacetoacetic acid (1) 1.2464 1.2400 0.3515
Fumarylacetoacetic acid (2) 1.2881 1.2037 0.3442
gamma-Glu-gln 1.2419 1.5069 0.0016
gamma-glutamyltyramine 1.4498 1.2831 0.0228
GAMMA-L-GLU-D-ALA 1.2606 1.3458 0.1914
(+)-Gibberellic acid 1.0627 1.6564 0.0412
Glu-Glu 1.3948 1.2130 0.1897
glutamate 1.3313 1.2190 0.2662
Glutamate degenerate 1.3093 1.2176 0.2974
glutamine 1.3408 1.4054 0.0050
Glutamine 1.2056 1.3944 0.2000
glutamine (tail) 1.3464 1.3759 0.0369
Glutamyl-alanine 1.2380 1.4163 0.1276
Glycerol 3-Phosphate 1.3512 1.3826 0.0215
Glycerophosphocholine 1.4297 1.2979 0.0299
Gly-l-pro (1) 1.3995 1.2878 0.0837
Gly-l-pro (2) 1.3742 1.2955 0.1072
Gly-l-pro (3) 1.3960 1.2108 0.1909
GNK 1.3332 1.4039 0.0172
Golotimod 1.3276 1.4152 0.0096
GSSG 1.4091 1.3013 0.0528
guanidinoacetate 1.1664 1.5766 0.0093
GUANIDINOSUCCINATE 1.1886 1.5533 0.0107
guanine 1.3895 1.3551 0.0072
HC Blue 1 1.3907 1.3004 0.0785
HC blue 2 (1) 1.3722 1.3732 0.0061
HC blue 2 (2) 1.0784 1.6302 0.0552
hercynine (RT = 6.761) 1.4294 1.2337 0.1159
hercynine (RT = 8.876) 1.3186 1.3004 0.1748
Heterodendrin 1.2920 1.3857 0.0964
Hexamethylenetetramine 2.1044 0.6374 0.0109
histidine 1.2509 1.4643 0.0463
histidinol 1.3742 1.2835 0.1231
Hnv 1.3337 1.4083 0.0108
homocitrulline 1.4449 1.2997 0.0072
Homo-L-arginine 1.4677 1.2819 0.0005
Hopantenic acid (1) 1.2629 1.4512 0.0478
Hopantenic acid (2) 1.1261 1.4766 0.1964
hydroxyacetone phosphate 1.5304 1.2100 0.0128
hydroxyproline/5-aminolevulinic acid 1.1929 1.3524 0.2730
hydroxyproline (tail) 1.2992 1.3270 0.1652
hypoxanthine 1.3845 1.3539 0.0154
Imidazol-4-one-5-propionic acid 1.2339 1.2746 0.3221
Imidazole-4-acetaldehyde (1) 1.4641 1.1886 0.1297
Imidazole-4-acetaldehyde (2) 1.4209 1.1424 0.2489
Imidazole-4-acetate 1.2426 1.2196 0.3838
Imidazoleacetic acid riboside 1.4179 1.2654 0.0889
Imidazolelactate 1.3704 1.3420 0.0501
inosine 1.4274 1.3095 0.0175
isoleucine 1.3471 1.3952 0.0102
Isosorbide 5-nitrate 1.2372 1.5067 0.0081
kynurenine 1.5972 1.1271 0.0343
L-allysine 1.3407 1.3400 0.0924
Laudanosine 1.3237 1.3031 0.1642
L-dihydroanticapsin 1.1528 1.5914 0.0077
lentiginosine 1.3415 1.4016 0.0092
L-Ethionine 1.2432 1.5036 0.0042
leucine 1.1750 1.5693 0.0076
lifibrate 1.1462 1.3110 0.3905
L-Lysine lactam 1.2635 1.4031 0.1112
L-Prolinamide 1.2577 1.2524 0.3198
Luciduline 0.9754 1.6114 0.2176
lysine 1.2849 1.4616 0.0047
Lysine degenerate 1.0670 1.6196 0.0846
Maculosin 1.3786 1.3408 0.0408
Medinoterb acetate 1.1443 1.3577 0.3307
metharbital (1) 1.1804 1.2870 0.3767
metharbital (2) 1.2036 1.3441 0.2698
methionine 1.0569 1.6922 0.0011
Methionine sulfoxide 1.4241 1.3245 0.0019
methitural 1.2588 1.2072 0.3787
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate 1.3526 1.2015 0.2612
Methylimidazoleacetic acid 1.3796 1.1863 0.2454
MFCD00036904 1.8013 0.9309 0.0237
MFCD00127891 (1) 1.1735 1.5013 0.1002
MFCD00127891 (2) 1.3267 1.4097 0.0181
MFCD00215933 1.2196 1.5243 0.0081
MFCD01318772 1.2612 1.4418 0.0627
Midodrine 1.5944 1.1357 0.0266
Mimosine (RT = 2.163) 1.2649 1.2939 0.2549
Mosapride 1.3959 1.3209 0.0443
Muscimol 1.4143 1.3274 0.0110
MW_102.04705@RT_4.869 1.1764 1.5318 0.0557
MW_112.06380@RT_9.852 1.2948 1.2582 0.2627
MW_119.07362@RT_4.865 1.1823 1.5141 0.0715
MW_123.07983@RT_7.026 1.1779 1.3220 0.3335
MW_138.00668@RT_2.282 1.3086 1.4256 0.0210
MW_143.10600@RT_15.220 1.4144 1.2293 0.1418
MW_156.08958@RT_2.615 1.3778 1.2027 0.2261
MW_157.08528@RT_14.670 1.3983 1.2162 0.1807
MW_168.12646@RT_2.542 1.1983 1.4577 0.1253
MW_170.03291@RT_2.283 1.3289 1.4179 0.0042
MW_172.07373@RT_1.972 1.1494 1.5720 0.0381
MW_174.13701@RT_11.699 1.2841 1.4654 0.0007
MW_182.06938@RT_2.194 1.2602 1.3647 0.1668
MW_182.10569@RT_2.096 1.0612 1.4819 0.2758
MW_184.04857@RT_2.279 1.3251 1.4175 0.0099
MW_190.13186@RT_12.889 1.1161 1.6302 0.0049
MW_192.14765@RT_5.742 1.2431 1.5053 0.0022
MW_196.04854@RT_2.020 1.2517 1.4751 0.0311
MW_201.11156@RT_6.917 1.3864 1.3415 0.0295
MW_202.04554@RT_10.888 1.2813 1.4426 0.0348
MW_203.12715@RT_9.480 1.2897 1.4480 0.0164
MW_214.00900@RT_12.421 1.4144 1.3253 0.0136
MW_215.04261@RT_1.974 1.4014 1.2655 0.1109
MW_216.06114@RT_6.638 1.2257 1.5071 0.0229
MW_216.09981@RT_1.970 1.1313 1.5816 0.0494
MW_218.16307@RT_5.460 1.3684 1.3788 0.0038
MW_225.07499@RT_4.711 1.3350 1.4108 0.0057
MW_226.05853@RT_2.614 1.2428 1.3078 0.2659
MW_229.10628@RT_5.543 1.3193 1.3096 0.1615
MW_230.09040@RT_10.434 1.2774 1.3202 0.2032
MW_230.13792@RT_8.627 1.5206 1.2146 0.0197
MW_231.11079@RT_6.874 1.2651 1.3512 0.1783
MW_234.08527@RT_10.478 1.2013 1.4756 0.0974
MW_234.15798@RT_5.951 0.9823 1.7666 0.0015
MW_237.03086@RT_11.836 1.2818 1.4541 0.0188
MW_245.17390@RT_13.879 1.4297 1.3169 0.0045
MW_248.06443@RT_4.053 0.9898 1.7246 0.0475
MW_248.10026@RT_9.781 (1) 1.3384 1.1948 0.2890
MW_248.10026@RT_9.781 (2) 1.2727 1.4382 0.0522
MW_248.10085@RT_8.016 (1) 1.3152 1.3692 0.0875
MW_248.10085@RT_8.016 (2) 1.2014 1.4458 0.1371
MW_248.10085@RT_8.016 (3) 1.2640 1.2698 0.2882
MW_248.13723@RT_10.001 (1) 1.2145 1.5322 0.0044
MW_248.13723@RT_10.001 (2) 1.2767 1.4680 0.0070
MW_249.03070@RT_13.154 1.2958 1.4492 0.0067
MW_255.02291@RT_12.423 1.3862 1.3572 0.0088
MW_256.06953@RT_2.166 1.3566 1.2932 0.1335
MW_259.16439@RT_13.838 1.4737 1.2696 0.0089
MW_260.13721@RT_6.892 1.2275 1.5160 0.0087
MW_265.11615@RT_9.534 1.2712 1.2598 0.2919
MW_273.03346@RT_12.439 1.4479 1.2806 0.0286
MW_275.13687@RT_8.237 1.2005 1.5397 0.0129
MW_276.14328@RT_10.113 1.3518 1.3934 0.0063
MW_289.12743@RT_7.045 1.4807 1.2358 0.0447
MW_296.04943@RT_12.425 1.3907 1.3538 0.0073
MW_296.20981@RT_1.936 1.5054 1.2392 0.0071
MW_297.04530@RT_10.230 1.2437 1.4923 0.0186
MW_299.11162@RT_2.516 1.2850 1.3564 0.1448
MW_300.05936@RT_12.340 1.1365 1.4047 0.2783
MW_301.11732@RT_5.003 1.2357 1.5049 0.0124
MW_303.15422@RT_11.640 1.2746 1.4744 0.0012
MW_303.17938@RT_10.309 1.2966 1.4421 0.0150
MW_310.18897@RT_1.849 1.3131 1.3948 0.0561
MW_317.19505@RT_10.542 1.3396 1.3935 0.0225
MW_318.10622@RT_11.197 1.3765 1.3212 0.0697
MW_321.06957@RT_13.811 1.4868 1.2534 0.0131
MW_323.22076@RT_1.977 0.9104 1.6865 0.2041
MW_324.15331@RT_13.690 1.4558 1.2619 0.0430
MW_331.18574@RT_9.885 1.1479 1.5924 0.0130
MW_349.14851@RT_11.447 1.4512 1.2920 0.0091
MW_350.15117@RT_8.553 1.1498 1.5653 0.0465
MW_357.19331@RT_14.070 1.3166 1.4323 0.0015
MW_368.24245@RT_12.683 1.4257 1.2963 0.0372
MW_368.34420@RT_1.924 1.3820 1.3231 0.0598
MW_374.10730@RT_11.416 1.3364 1.4008 0.0171
MW_377.13226@RT_7.361 1.4984 1.0790 0.2301
MW_377.14332@RT_11.076 1.2012 1.5053 0.0580
MW_385.19950@RT_14.698 1.3581 1.3885 0.0046
MW_394.13506@RT_6.603 1.3465 1.3715 0.0427
MW_398.24318@RT_1.731 0.7309 1.8824 0.1823
MW_404.15447@RT_11.236 1.2114 1.5238 0.0198
MW_406.02362@RT_12.452 1.4520 1.2520 0.0612
MW_412.13438@RT_6.720 1.3064 1.4188 0.0331
MW_421.21755@RT_10.392 1.4153 1.2807 0.0721
MW_448.34116@RT_1.759 1.3245 1.2127 0.2837
MW_449.13409@RT_4.634 1.1819 1.5598 0.0111
MW_454.18162@RT_5.214 1.4545 1.2619 0.0449
MW_467.30117@RT_1.989 1.5380 1.1536 0.0778
MW_486.17144@RT_6.476 1.3741 1.3750 0.0013
MW_486.20679@RT_13.608 1.4732 1.2264 0.0672
MW_493.19609@RT_4.626 1.7357 0.9698 0.0594
MW_494.19230@RT_4.615 1.4896 1.2355 0.0332
MW_519.33305@RT_1.876 2.0034 0.6950 0.0688
MW_531.37766@RT_1.726 0.7756 1.9166 0.0771
MW_543.33299@RT_1.865 1.7333 0.9847 0.0426
MW_567.33266@RT_1.833 1.7631 0.8355 0.2019
MW_584.26375@RT_1.956 1.0255 1.6785 0.0613
MW_729.53081@RT_1.720 0.6371 2.0130 0.1332
MW_805.56206@RT_1.712 2.0100 0.6867 0.0711
MW_83.03722@RT_9.319 1.3399 1.3988 0.0150
N~2~-Acetyl-L-ornithine 1.2295 1.5121 0.0111
N-(2-Cyanoethyl)-L-glutamine (1) 1.2781 1.3473 0.1662
N-(2-Cyanoethyl)-L-glutamine (2) 1.0776 1.5686 0.1385
N(2)-succinyl-L-glutamic acid 1.2437 1.2820 0.2991
N(2)-succinyl-L-ornithine 1.4071 1.2494 0.1246
"N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid" 1.3607 1.3758 0.0180
N-(3-Carboxypropyl)-L-glutamine 1.5197 1.1409 0.1193
N-(4-Amino-1-carboxybutyl)glutamic acid 1.3050 1.3140 0.1747
"N,4-Dinitroso-N-methylaniline" 1.3983 1.3315 0.0270
N-(4-Oxobutyl)-L-glutamine 1.4256 1.2782 0.0616
"N~6~-[(2R)-3,4-Dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine" 1.4982 1.2468 0.0067
N6-METHYLLYSINE (1) 1.1789 1.5697 0.0018
N6-METHYLLYSINE (2) 1.1993 1.5360 0.0196
N-Acetyl-1-aspartylglutamic acid 1.3876 1.3546 0.0104
N-Acetyl-6-oxo-L-norleucine 1.1602 1.3229 0.3558
N-Acetyl-b-D-glucosamine 1.0594 1.4301 0.3472
N-Acetyl-D-quinovosamine 1.2697 1.1949 0.3805
N-ACETYLGALACTOSAMINE/N-ACETYLGLUCOSESAMINE (1) 1.4488 1.1286 0.2301
N-ACETYLGALACTOSAMINE/N-ACETYLGLUCOSESAMINE (2) 1.3738 1.1602 0.2880
N-Acetylleucylleucine 1.2921 1.2896 0.2243
N-Acetyl-L-glutamic acid 1.3763 1.2283 0.1938
N-Acetyl-L-histidine 1.4338 1.2706 0.0608
N-acetyllysine 1.1636 1.4675 0.1586
N-ACETYLPUTRESCINE 1.2878 1.2717 0.2540
N-Benzylformamide 1.1056 1.5528 0.1221
"N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine" 0.7505 1.0107 1.3184
N-glycoloyl-D-mannosaminolactone (1) 1.3974 1.1835 0.2254
N-glycoloyl-D-mannosaminolactone (2) 1.2717 1.2699 0.2779
N-Glycosyl-L-asparagine 1.0978 1.4998 0.2032
NI3400000 (1) 1.3272 1.2682 0.2061
NI3400000 (2) 1.2990 1.2881 0.2172
niacinamide 1.2893 1.3082 0.2033
Nicorandil 1.4422 1.1779 0.1732
nicotianamine 1.5868 1.1339 0.0390
Nicotinuric acid (1) 1.2435 1.2124 0.3921
Nicotinuric acid (2) 1.2719 1.2251 0.3374
Nitrosoguvacoline (1) 1.4659 1.1972 0.1159
Nitrosoguvacoline (2) 1.2892 1.4149 0.0613
Nitrosoguvacoline (RT = 2.722) 1.3715 1.3484 0.0401
N-Methylglutamine 1.4489 1.2240 0.1029
"N,N-Dihydroxy-L-valine" 1.2075 1.3398 0.2703
"N,N-DIMETHYLARGININE (RT = 11.881)" 1.1677 1.5816 0.0010
"N,N-dimethylarginine (RT = 13.597)" 1.2927 1.4283 0.0387
N-Nitrosoproline 1.1718 1.4689 0.1458
"N,N,N-TRIMETHYLLYSINE" 1.3521 1.3971 0.0010
Nopaline 1.2591 1.4726 0.0244
"Norspermidine-2,3-dihydroxybenzoate" 1.2318 1.4965 0.0290
NORURON 1.2751 1.2766 0.2644
N-Propanoylimidazole (1) 1.4394 1.1879 0.1636
N-Propanoylimidazole (2) 1.3353 1.1779 0.3157
NPYR 1.2551 1.3324 0.2166
Nudifloramide 1.2378 1.4546 0.0768
Olaquindox [BAN:INN] 1.2673 1.4693 0.0179
ornithine 1.3047 1.3183 0.1694
Orotic acid 1.3494 1.3900 0.0141
Oseltamivir 1.4401 1.2851 0.0330
O-SUCCINYL-HOMOSERINE 1.1009 1.3570 0.3896
oxiracetam 1.3827 1.2942 0.0975
OXOPROLINE/PYROGLUTAMATE 1.3636 1.2274 0.2120
Oxynicotinamide 1.3125 1.1878 0.3330
Palmitoyl sphingomyelin 1.9160 0.7628 0.0949
Palustrine 0.8607 1.8536 0.0476
p-aminobenzoate 1.4305 1.3138 0.0076
PANTOTHENATE 1.1549 1.5948 0.0004
PC 1.9171 0.7900 0.0572
"PC(20:1(11Z)/18:3(9Z,12Z,15Z))" 1.9162 0.7658 0.0906
pentabamate 1.3873 1.3467 0.0212
phenylalanine 1.1772 1.5177 0.0735
phosphocholine 1.3942 1.3297 0.0349
phosphoethanolamine 1.4018 1.3273 0.0279
Picolinamide 1.3819 1.1940 0.2322
Pipecolate 1.3589 1.3706 0.0273
Pipecolinic acid degenate 1.2891 1.4550 0.0078
Pipecolinic acid degenerate 1.4904 1.1786 0.1079
Pipecolinic acid (tail) (1) 1.1803 1.5390 0.0409
Pipecolinic acid (tail) (2) 1.2690 1.3072 0.2318
Piperidine (1) 1.0656 1.6724 0.0161
Piperidine (2) 1.3335 1.4034 0.0174
Piracetam 1.4647 1.2527 0.0435
Piracetam (tail) (1) 1.1994 1.3200 0.3075
Piracetam (tail) (2) 1.1965 1.2548 0.3983
Pirbuterol 1.2286 1.2933 0.3041
Pirbuterol degenerate 1.3163 1.1545 0.3722
porphobilinogen 1.3458 1.1660 0.3176
Pregabalin 1.3580 1.3918 0.0003
Proacaciberin 0.9795 1.7036 0.0892
Proclavaminic acid 1.0616 1.4537 0.3130
Pro-Hyp (1) 1.3614 1.3835 0.0068
Pro-Hyp (2) 1.3707 1.3757 0.0048
Pro-Hyp (3) 1.3067 1.4010 0.0565
Pro-Hyp (4) 1.2054 1.2959 0.3317
proline (1) 1.2182 1.5245 0.0098
Proline (2) 1.2749 1.3079 0.2229
Proline (3) 1.1946 1.3590 0.2619
Prolylglycine 1.3274 1.3772 0.0605
Prolylleucine 1.4043 1.3271 0.0248
propionylcarnitine 1.2430 1.5011 0.0078
pseudouridine 1.2781 1.1932 0.3716
Pyrazinoic acid 1.3685 1.3445 0.0493
Pyrimidine 1.4557 1.1069 0.2498
(_)-Riboflavin 1.2655 1.4042 0.1071
(S)-ACPA 1.3681 1.1930 0.2519
(S)-ACPA (tail) (RT = 2.367) (1) 1.3149 1.3786 0.0752
(S)-ACPA (tail) (RT = 2.367) (2) 1.3042 1.2512 0.2594
S-Adenosyl-L-Homocysteine 1.2629 1.4401 0.0627
S-Adenosyl-L-methionine 1.3982 1.3501 0.0023
Safrole 1.2785 1.2080 0.3514
Sakuranin 1.1664 1.5504 0.0443
Samandarin 2.0373 0.6575 0.0736
serine 1.2268 1.4261 0.1295
Stachydrine 1.1153 1.3470 0.3836
Stavudine 1.2472 1.2371 0.3542
streptidine 1.5266 1.2223 0.0015
Succinyladenosine 1.3141 1.4053 0.0408
taurine 1.1547 1.5945 0.0010
Thiamine 1.3406 1.4048 0.0062
Thiamine RTshift 1.3499 1.3904 0.0130
THREONIC ACID 1.2012 1.2195 0.4391
threonine 1.1834 1.5352 0.0418
Threonine degenerate 1.2204 1.2735 0.3416
Threonine (tail) 1.1936 1.3001 0.3417
THTC 1.0587 1.6864 0.0065
Thymidine 1.3835 1.1267 0.3198
Thymine (1) 1.4535 1.2503 0.0615
Thymine (2) 1.3032 1.2389 0.2772
Thymine degenerate 1.3218 1.1728 0.3405
thymine glycol 1.3227 1.3883 0.0520
Tilarginine 1.2733 1.4726 0.0054
trans-3-Indoleacrylic acid 1.3577 1.2997 0.1235
triaziquone 1.4624 1.2846 0.0039
Troxacitabine 1.5736 1.1143 0.0828
tryptophan 1.3493 1.3085 0.1229
tyrosine 1.0978 1.5611 0.1214
Ulodesine 1.6475 1.0573 0.0603
Uracil 1.4559 1.2489 0.0603
Ureidosuccinic acid 1.2683 1.2106 0.3615
valine 1.2651 1.3693 0.1542
Veronal (1) 1.3395 1.2102 0.2671
Veronal (2) 1.2063 1.4454 0.1310
Veronal (3) 1.4880 1.1732 0.1184
Veronal (4) 1.4211 1.0831 0.3277
vinylglycine (1) 1.2002 1.2933 0.3421
vinylglycine (20 1.2431 1.3097 0.2629
vinylglycine (tail) 1.2366 1.3000 0.2846
Vorinostat 1.3950 1.2971 0.0773
YR0513000 (1) 1.3914 1.3475 0.0149
YR0513000 (2) 1.3629 1.2738 0.1511
YR0513000 (3) 1.2804 1.1868 0.3771
YV8195000 1.2726 1.4670 0.0140
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Sample source:embryonic CSF | Developmental Timepoint:E14.5 | Maternal Treatment (injection):PolyIC | Collection Timepoint:48 Hrs
F2Sample source:embryonic CSF | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Timepoint:48 Hrs
F3Sample source:mock | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Timepoint:-
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