Metabolite_name RefMet_name L-KO-1_NEG L-KO-2_NEG L-KO-3_NEG L-KO-4_NEG L-KO-5_NEG PLC-KO-1_NEG PLC-KO-2_NEG PLC-KO-3_NEG PLC-KO-4_NEG PLC-KO-5_NEG L-WT-1_NEG L-WT-2_NEG L-WT-3_NEG L-WT-4_NEG L-WT-5_NEG PLC-WT-1_NEG PLC-WT-2_NEG PLC-WT-3_NEG PLC-WT-4_NEG PLC-WT-5_NEG
Factors - Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type
1-(10z-heptadecenoyl)-sn-glycero-3-phospho-(1^-rac-glycerol) 919.4255 1273.5406 1175.3601 2237.7614 1034.5156 1109.1577 1122.1473 941.0485 962.4203 875.5587
1-(1_2-dihexanoylphosphatidyl)inositol 1869.9741 724.0715 1542.4336 891.8693 1337.6437 1753.2851 4575.1436 1764.0263 2086.5844 3085.5942
11-deoxy-11-methylene-15-ketoprostaglandin d2 9104.9883 9226.5538 7095.2456 10318.4057 11642.4533 2293.7559 3239.3086 2172.8060 1951.4941 2630.6501
11-ketofusidic acid 7429.7314 11609.0467 6269.9896 9023.7765 6851.7416 13154.1520 9157.2883 5093.9283 7171.5392 5069.4352
(.+/-.)-11-nor-.delta.9-tetrahydrocannabinol-9-carboxylic acid 2182.1933 3480.0475 3643.5239 3785.7008 3849.1197 10367.8565 3636.2484 5947.1938 4861.0717 3593.4896
1-(1z-octadecenyl)-2-(4z_7z_10z_13z_16z_19z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 51233.3289 107391.7942 77490.4437 38658.7449 332708.3996 47241.3579 195951.1717 64978.0418 224343.5100 117619.6849
1-(1z-octadecenyl)-2-(9z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 22069.0129 36535.9685 34745.5156 13981.8327 115587.0439 15165.6174 77060.4294 31055.1859 52240.0892 32534.4800
1_2_3_4_6-pentagalloyl .beta.-d-glucose 11541.8013 11361.2880 8491.0548 5801.2600 7388.2557 6398.8038 5690.0769 6184.0092 5628.8250 5422.3612
1_2-benzenedicarboxylic acid Phthalic acid 6803.0501 11340.6871 21806.6776 6045.4710 7962.1174 17271.1417 19457.0715 11246.3777 6983.7223 10914.4104
1_2-dioleoyl-sn-glycero-3-phosphate 4467.3228 9799.8064 4742.5262 3055.6609 9261.5074 5252.3064 11343.3038 5691.6682 14798.8749 7462.1483
1_2-dioleoyl-sn-glycero-3-phosphoethanolamine-n_n-dimethyl 142510.5422 242898.9991 164600.6126 112680.3979 440822.7407 156620.0938 362197.2607 337285.4810 1086501.3140 325145.5269
1_2-dioleoyl-sn-glycero-3-phospho-l-serine 36780.6979 87896.5168 44179.6091 22985.5809 88074.4811 64831.0062 123862.0556 59268.8129 160239.4908 81721.8603
1_2-dipalmitoleoyl-sn-glycero-3-phosphoethanolamine 6215.8555 18046.7231 5666.4211 4843.6872 25061.0842 2071.2751 16151.3636 5443.2896 22005.4767 6830.7342
1_2-distearoyl-sn-glycero-3-phospho-l-serine 44300.3766 88935.4151 61660.6835 28616.5434 179076.0437 42025.5779 187379.8022 49457.7176 202287.3293 80623.9965
1_2-Distearoyl-sn-glycerol 3-phosphate(PA(18:0/18:0)) 2780.8731 5732.2931 3839.3579 3045.8257 6257.6656 3215.9766 5868.2514 6309.7458 10371.1984 4376.0209
1_3_5-trimethyl-2_4_6-tris(3_5-di-tert-butyl-4-hydroxybenzyl) benzene 4841.8969 4604.0861 3140.2298 4313.4903 3891.4001 4622.7207 6323.8193 2787.5707 7104.1808 3874.5843
1_4-d-xylobiose Xylobiose 4309.2913 4525.1033 2637.0061 3263.9044 1510.4573 2637.9139 6107.6753 4819.0870 9886.6859 6885.3689
15-ketoiloprost 690674.1104 946476.1543 906917.0112 840078.6738 722968.1989 2139399.7160 1077109.1750 1215396.4580 863226.2059 899079.5546
16-hydroxyhexadecanoic acid Juniperic acid 16210.5240 10053.0716 12580.5116 11517.6545 9349.5997 17254.4791 18104.8426 10920.1077 10066.7083 13311.2492
16-phenoxytetranorprostaglandin e2 2783.0633 2414.5634 1169.2562 2142.8306 2105.7993 5117.7737 1917.4261 11903.8347 2528.1573 1501.2300
1-(9z_12z-octadecadienoyl)-2-hydroxy-sn-glycero-3-phosphoethanolamine 11243.1262 15784.9228 11814.3220 9548.5399 12583.2640 10296.1029 11256.0259 8822.1541 18317.6434 12064.4464
1-arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine LPC 20:4/0:0 12797.3015 8464.8370 10025.2607 13445.2357 11368.3638 11933.5985 15662.5342 12693.6658 16788.7846 12889.8602
1-Hexadecanoyl-2-(9Z_12Z-octadecadienoyl)-sn-glycero-3-phosphoric acid 11057.5457 13566.1397 13494.1422 8458.1671 15897.8762 7248.2776 17095.5361 13906.5714 14159.3659 10614.5374
1-hexadecanoyl-2-(9z-octadecenoyl)-sn-glycero-3-phospho-(1^-myo-inositol) PI 16:0/18:1 83072.8722 215285.7868 126314.2100 67748.3842 180944.7726 150204.4402 260539.7207 133115.4559 274453.5732 144872.9719
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoric acid 21709.8819 25907.4807 21692.3762 11644.6506 36933.9927 15999.1081 24222.3230 18232.2414 35639.7280 17922.1850
[1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]octadec-9-enoate 11207.0112 18293.9459 13336.6904 10392.8248 25472.3125 7808.8416 21619.3505 13920.5507 9792.3980 18895.6220
1-hexadecyl-2-(9z-octadecenoyl)-sn-glycero-3-phosphoethanolamine PE O-16:0/18:1 14101.4351 25950.9114 9076.9534 10872.8374 33938.1493 16176.4945 23400.3564 18680.2355 40565.1396 26326.6304
1h-indole-1-pentanoic acid_ 3-(1-naphthalenylcarbonyl)- 5204.7192 1021.0813 3956.2052 5431.5848 3968.7644 4230.6904 3090.3422 4559.9178 4628.3051 3566.3120
1h-indole-1-pentanoic acid_ 3-[(8-quinolinyloxy)carbonyl]- 1414.1449 1363.1869 1021.7650 1735.8577 1874.9370 880.1234 829.7033 1648.6280 1676.2713 1580.8871
1-Methylpseudouridine 6836.1810 6606.6708 4002.3576 3981.4853 5497.1025 3035.9293 2770.0327 3814.5918 2790.6375 2975.1737
1-Methylxanthine 1-Methylxanthine 42513.3011 45703.8867 37345.1972 43919.5376 46260.7604 13713.7390 18967.5698 17581.8207 11922.2787 18747.2664
1-myristoyl-2-stearoyl-sn-glycero-3-phosphocholine 46066.2483 88872.4904 63213.0596 26100.2069 142859.6367 27997.5674 93797.4132 48118.0134 105969.8857 66775.1872
1-o-(9z-octadecenyl)-sn-glycero-2_3-cyclic-phosphate 28591.0310 14484.3015 16052.4478 46308.4827 18638.2620 20805.9419 43033.7533 20951.9891 45517.2605 22331.4316
1-oleoyl-2-hydroxy-sn-glycero-3-phospho-(1^-rac-glycerol) 50046.4295 79147.0596 51413.7387 37792.1534 64965.8422 30440.0139 39394.6052 41853.1180 66941.8365 48116.4959
1-oleoyl-l-.alpha.-lysophosphatidic acid 1978.8482 1668.7515 2585.0717 421.7503 388.8972 2730.4198 3838.5894 2601.6459 2367.4852 2508.4692
1-palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1^-rac-glycerol) 9855.6093 17480.0066 14109.1367 8662.3667 9826.1651 9649.4501 9235.6364 8557.4101 8828.0519 10485.1164
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate PA 16:0_18:2 3798.9673 4525.8711 4096.3887 3805.4111 4736.6036 4172.3230 3786.1988 5680.2132 6186.1421 2912.6118
1-palmitoyl-2-oleoyl-phosphatidylglycerol 55117.0371 131580.3851 80856.4232 42850.0644 253825.4495 45764.5135 205860.0466 67353.6797 206299.8281 118690.3426
1-palmitoyl-3-oleoyl-sn-glycero-2-phosphoethanolamine 370947.4547 676518.8387 424476.9824 301832.7899 915696.8191 227761.6403 620868.7063 362431.0675 807247.8934 695233.3701
1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 11548.8979 22460.2642 12360.2494 6798.4758 23907.0618 16316.7615 36921.6259 17127.4004 46565.1885 22873.7655
1-stearoyl-2-hydroxy-sn-glycero-3-phosphate LPC 18:0/0:0 591.2155 1200.8099 1065.2483 446.6986 726.1647 2403.6366 2022.8289 1889.5685 2017.7402 2662.5063
1-stearoyl-2-linoleoyl-sn-glycero-3-phosphate 9122.8359 5689.1081 7842.0652 10181.0430 11790.0377 12292.7085 15433.3120 8040.1151 19073.5614 6584.3810
1-stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine PE 18:0/18:2 276262.7889 804326.5454 345080.7305 203755.7032 1054316.5630 172514.8583 656760.9477 414564.2180 808578.9226 465040.6354
1-Stearoyl-sn-glycerol MG 18:0/0:0/0:0 21872.9183 28114.8338 14105.0519 30149.5857 21497.1066 15145.4752 18907.8381 22829.0414 12083.2839 17442.2503
2^_2^-difluoro-2^-deoxyuridine 25519.8011 15594.8477 22832.2839 18029.6717 11866.2609 11276.2656 21285.8477 19373.5494 16672.5730 12242.5173
2-(2-hydroxybut-3-en-2-yl)-3a_6_6_9a-tetramethyl-2_4_5_5a_7_8_9_9b-octahydro-1h-benzo[e][1]benzofuran-4_5-diol 65464.2055 61239.3786 61121.2267 64951.0572 45512.9367 101487.1899 90853.5197 91868.6744 99441.7461 71337.5254
2_3-diphospho-d-glyceric acid 2,3-Diphosphoglyceric acid 10386.2079 5900.0713 11948.9135 21261.3801 8564.1670 18797.7395 22204.7965 13443.0968 17698.2509 3072.4495
(2-{[3-hydroxy-2-tetradecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium 6545.2028 11534.3841 6519.6902 3249.0083 15242.3602 10152.7503 11738.5116 7876.1963 14096.5907 15559.9185
2-(3-pyridyl)-4-methylthiazole-5-carboxylic acid 4138.2288 4999.5697 1356.9116 4773.1150 4616.6217 4132.6582 3966.6036 3708.3580 4230.8996 2261.9589
(2_4-dichlorophenoxy)acetic acid 2,4-Dichlorophenoxyacetic acid 14232.4953 5008.4524 2312.6750 54905.7609 36235.9797 3153.8081 4064.4308 2650.1436 2526.7917 2629.3929
2_4-dihydroxybenzophenone 2,4-Dihydroxybenzophenone 16674.8101 11497.5787 14805.4151 10683.2942 9377.8653 13725.1159 7059.8091 8937.3811 6895.8771 8373.4897
2_6-di-tert-butylphenol 2,6-Ditert-butylphenol 18415.7286 23132.0377 17621.5769 13753.4874 16635.2922 20940.1979 18151.3224 17000.0755 30038.0008 18123.7439
2_8-quinolinediol Quinoline-2,8-diol 3701.6803 1175.1666 4669.6732 4539.9547 4207.1783 4182.0338 1899.0623 6459.8927 4866.1987 4859.2658
2-amino-3-[hydroxy-[2-hydroxy-3-[octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid 49278.1378 60786.6451 48638.1664 34662.0926 40474.1088 74382.3269 57338.7423 67905.3712 75509.3033 81208.1788
2-aminoadipic acid alpha-Aminoadipic acid 83604.1660 92574.4226 111524.9577 94203.0893 101181.9577 39263.2569 51447.7390 51969.2209 47391.5567 51521.9560
(2-aminoethoxy)[2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-[hexadec-1-en-1-yloxy]propoxy]phosphinic acid 207572.7158 503057.1421 325539.0178 139095.5093 1632195.7320 127254.3680 951352.4547 283742.2505 1327423.7190 596035.0312
(2-aminoethoxy)[2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-[octadeca-1.9-dien-1-yloxy]propoxy]phosphinic acid 43415.2334 97358.7511 57730.2106 28193.5866 391563.5430 22578.2580 189710.9368 41292.6504 261807.3925 116760.8464
(2-aminoethoxy)[2-[hexadec-9-enoyloxy]-3-[octadeca-1.11-dien-1-yloxy]propoxy]phosphinic acid 16766.2253 38628.0819 23309.0187 12849.7179 81537.6087 9534.1600 70638.7185 20925.9518 67474.3136 33746.0217
(2-aminoethoxy)[2-[octadec-9-enoyloxy]-3-[octadeca-1.11-dien-1-yloxy]propoxy]phosphinic acid 25132.9251 50252.7871 34120.4688 19396.6237 129507.0235 17370.5719 84808.2799 33254.7224 90402.9234 54154.6610
(2-aminoethoxy)[3-[hexadec-1-en-1-yloxy]-2-[hexadec-9-enoyloxy]propoxy]phosphinic acid 14668.0571 39451.5359 33877.2206 13522.7213 104275.5640 10155.7087 48159.8857 19858.8370 58780.3727 32270.8097
(2-aminoethoxy)[3-[hexadec-1-en-1-yloxy]-2-[icosa-5.8.11.14-tetraenoyloxy]propoxy]phosphinic acid 33060.1443 70203.6070 42624.8645 23022.3747 157542.1044 22555.9885 111126.5057 42825.6238 117852.1179 69653.1240
2-arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine PE 16:0/20:4 40697.6741 123525.2352 56359.3912 31957.5189 201676.7134 24580.3545 133458.5163 49694.0328 196250.5513 88124.2005
2-chloro-2^-hydroxy-4^-methylbenzophenone 1589.7914 2192.2217 4020.9310 3633.0711 1212.6262 1436.2769 4913.8699 4051.3561 2108.7791 2192.9891
2-(cyclohexylamino)ethanesulfonic acid 26466.3448 25660.2670 22491.0018 20258.1095 19473.5396 30831.6534 36466.5876 35929.4776 38232.4316 37232.8793
2^-deoxyadenosine 5^-monophosphate dAMP 3204.6036 4538.3507 2308.3591 5473.5904 2243.7124 655.4971 982.4485 865.3353 899.8735 1371.6494
2-Deoxy-D-glucose 6-phosphate 2-Deoxy-D-glucose 6-phosphate 31404.3768 22112.7212 11055.1845 42646.5508 15791.4705 28110.3819 39254.3689 29935.2092 36804.5207 37551.2405
2^-deoxyguanosine 5^-monophosphate dGMP 65122.5658 67742.3349 68805.1904 108285.9624 76717.7397 70374.6073 127190.1214 172488.5698 91925.2207 58048.8042
2^-Deoxyinosine 5^-monophosphate 16023.5099 16616.1166 18473.8492 15093.1580 20136.9147 14446.3215 14780.7613 14950.8098 18306.6937 19990.2006
2-Deoxyribose 5-phosphate Deoxyribose 5-phosphate 3284.5414 1409.8998 1474.3595 1051.7574 1508.4435 1164.3876 1462.0011 941.8101 1694.5187 1798.2272
2^-Deoxyuridine Deoxyuridine 914.3855 1087.7094 1073.6534 16506.3301 11944.3785 12890.4069 296.7842 18045.5568 13935.6145 13937.8271
2^-deoxyuridine 5^-monophosphate dUMP 3333.8654 3022.9754 2734.6264 2427.2629 2222.9122 3086.7400 5185.7681 2995.3666 1860.0358 1569.3867
(2e_6e_10e)-13-[(2r)-6-hydroxy-2_8-dimethyl-3_4-dihydrochromen-2-yl]-2_6_10-trimethyltrideca-2_6_10-trienoic acid 29699.2473 43754.1091 20362.2411 37467.6341 29321.1863 53307.7877 37361.8288 24551.0317 26056.3591 18003.9894
2^-hydroxy-4^-methoxyacetophenone 638318.3428 629452.9351 478157.9982 684787.7829 461716.4823 429960.4276 236326.6670 443308.1527 369117.9026 489417.5325
2-hydroxy-6-methylquinoline-3-carbaldehyde 735908.9342 574976.7813 290354.3128 1197952.5300 1051102.5960 1764.4615 13485.3358 16493.4743 26245.2191 22476.0119
2-keto-D-Gluconic acid 2-Dehydro-D-gluconic acid 13855.8166 10298.1225 14922.0587 7058.4265 8975.8986 5806.8677 6308.4253 6833.0230 7796.7655 8734.6201
2-linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine PE 16:0/18:2 80331.2758 175634.6495 97335.5061 79351.9815 346319.2042 40650.8489 170904.4984 74786.8063 261872.8205 121129.1200
2-mercaptobenzothiazole 9345.1398 11213.4001 11433.3776 14930.8383 13802.1473 8389.2341 9856.5359 7434.7868 4839.7928 6697.3610
2-methyl-3-hydroxybutyric acid 2-Methyl-3-hydroxybutyric acid 15327.5489 21943.8006 11450.8132 10800.2132 11002.3426 1099.6574 2715.0768 2749.9594 2784.0272 3903.8907
2-methylguanosine 2-Methylguanosine 13392.1630 11352.7972 11290.6957 11759.0860 11353.9733 3029.6359 6011.4763 2992.2282 5029.5023 3337.4673
2-naphthalenesulfonic acid 9142.9617 14868.9787 7647.5647 11899.8328 7098.0330 9255.3437 19126.5226 15731.9217 5096.4053 17920.4033
2-Oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine(PC(16:0/18:1(9Z))) PC 16:0/18:1 16457.7233 27962.6046 19412.3417 13352.1811 30252.3526 14246.8337 33549.7632 45236.7569 41812.6999 28604.9781
2-oleoyl-1-palmitoyl-sn-glycero-3-phosphoserine 49341.0481 129775.4495 70181.2224 41947.6962 113142.0553 97912.9072 180121.5987 77050.0730 188573.9815 102613.3031
2-o-methylguanosine 112073.4901 106844.5963 82590.3416 119149.0359 120836.1435 22356.2909 31045.3854 26304.2514 35364.6978 27983.4115
2^-O-methylinosine 21470.7238 15346.2169 11939.8439 19184.2253 13572.7391 6812.9500 5611.2086 5589.4189 5483.8681 5824.4613
2-Oxoadipic acid Oxoadipic acid 136988.7496 148616.2432 127589.4110 143147.6981 119404.6307 97857.7208 78837.1678 131213.1176 158300.5581 65054.5747
[(2r_3r_4s_6s)-6-[(2r_3s_4r)-6-[(2r_3r_4r_6s)-6-[[(2s_3s)-3-[(1s_3s_4r)-3_4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2s_4r_5r_6r)-4-[(2s_4r_5s_6r)-4_5-dihydroxy-6-methyloxan-2-yl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-8_9-dihydroxy-7-methyl-1-oxo-3_4-dihydro-2h-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2_4-dimethyloxan-3-yl] acetate Acetic acid 2793.3342 1115.4971 2428.1418 1568.9509 2394.3597 2568.6445 2905.3005 2378.5046 2712.6767 2337.3939
[(2r_3s_4s_5r_6r)-3_4_5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (e)-3-(3_4-dihydroxyphenyl)prop-2-enoate 31659.5922 46736.7696 20971.0410 62261.2738 39552.9767 3705.5713 5153.9030 4184.4186 3156.4375 4291.8685
(2r_3s_4s_5r_6r)-6-[1_7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s_3r_4r)-3_4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(2s_3r_4r)-3_4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3_4-diol 1057.1027 752.9080 1168.8175 912.6276 1293.5473 1395.3332 1954.4855 842.8549 1208.4244 1143.6089
(2r)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2_3-dihydrochromen-4-one 8473.0785 6076.3350 7495.6545 9920.1920 5439.2240 7526.2728 9264.1311 4358.8429 5459.7342 6264.8967
[(2s_3r_4s_5s_6r)-2-[3-[(2s_3r_4s_5s_6r)-4_5-dihydroxy-6-(hydroxymethyl)-3-[(2s_3r_4r_5r_6s)-3_4_5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4_5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate 239.2883 155.3407 213.9899 257.4399 71.5796 339.2134 64.6171 242.4534 109.2037 249.7083
(2s_3s_4s_5r_6r)-6-[[(2s_3r_4r_6ar_6bs_8as_14br)-2-hydroxy-4-(hydroxymethyl)-4_6a_6b_11_11_14b-hexamethyl-8a-[(2s_3r_4s_5s_6r)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1_2_3_4a_5_6_7_8_9_10_12_12a_14_14a-tetradecahydropicen-3-yl]oxy]-3_4_5-trihydroxyoxane-2-carboxylic acid 10955.6859 11385.8480 10751.7402 7890.5468 5714.0013 11395.6726 24414.6051 10514.1778 10951.8644 9352.0863
2s-amino-4-phosphonobutyric acid 61955.5108 67285.1178 67029.1374 61980.5360 39533.3870 66733.2047 50849.2796 38410.7746 43196.0571 41480.2596
3-(1h-indol-3-ylmethyl)-6_18-dimethyl-9-(2-methylpropyl)-12-(1-phenylethyl)-15-propan-2-yl-1_4_7_10_13_16_19-heptazacyclotricosane-2_5_8_11_14_17_20-heptone 1436.4006 718.7792 854.3273 809.4141 543.3190 936.7162 3531.3220 1012.2571 770.3526 805.2043
3-(3-(1_2-dihydroxy-1_2-dihexanoyl)thiopropane)inositol-4_5-diphosphate 4703.2401 6314.9915 3544.1046 1736.4971 5393.4315 3323.2392 7365.8949 2232.2254 4735.6817 5803.9214
3_3^_5-triiodo-l-thyronine Liothyronine 2168.8887 1508.1007 2209.5160 1109.5249 1343.2060 1217.6338 988.7522 880.6673 1639.8399 1724.7393
3-(3-Indolyl)-2-oxopropanoic acid Indolepyruvate 3703.3662 5752.8116 6441.3534 5312.8347 5747.3297 3883.8336 3805.8431 3095.6848 761.6163 3848.0852
3_4-dihydroxy-5-[(2s_3r_4s_5s_6r)-3_4_5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid 3336.7515 4985.4384 3129.7999 4882.0496 4298.0190 4902.7405 6898.3803 5829.5988 7047.7975 6683.2753
3_4-dihydroxyhydrocinnamic acid 3,4-Dihydroxyhydrocinnamic acid 35847.0699 44051.3019 41518.1381 52593.7790 51249.6688 45585.7600 67687.0898 58838.4727 62278.1059 55930.6963
3_4-dihydroxy-l-phenylalanine DOPA 4725.4261 3718.1486 1862.2100 3202.8379 2923.1781 2421.7358 2440.0564 2438.9609 2227.2911 1955.7029
3_4-dihydroxymandelic acid 3,4-Dihydroxymandelic acid 6370.1504 4452.2188 10521.2575 5747.9360 5589.9355 12971.9176 10024.2104 7674.2554 6234.2319 4923.3420
3-(5-phenylthiophen-2-yl)prop-2-ynyl acetate 5867.9531 3050.9775 3206.7208 2049.1398 7852.0506 961.1244 5251.1115 3274.8587 4249.6195 2678.7963
3^-.alpha.-sialyl-n-acetyllactosamine 7622.3203 8106.2405 7183.4049 6762.3957 7542.0962 3650.4337 5310.0240 4388.1887 5285.0300 4877.8221
3.beta._7.alpha.-dihydroxy-5-cholestenoic acid 3beta,7alpha-Dihydroxy-5-cholestenoic acid 4417.1496 3921.8421 4214.6443 3087.9322 4997.3408 5464.1327 3119.4399 3453.3759 5070.4796 2802.9440
3-(cyclohexylamino)-2-hydroxy-1-propanesulfonic acid 120583.1314 99706.6147 111229.2773 169424.2118 80288.3310 89109.0899 140466.2190 90040.3341 114681.5082 87506.7427
3-deoxy-d-glycero-d-galacto-2-nonulosonic acid 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 44862.7069 46669.6643 42215.5456 47772.4712 42876.7451 71676.2896 102705.7576 92366.8211 107117.1446 101331.8613
3-formylrifamycin 4588.5581 922.9897 3237.0428 1537.3615 3173.2257 4061.7640 8636.6498 4684.8612 3648.8509 4461.4379
3-furancarboxylic acid_ tetrahydro-4-methylene-5-oxo-2-propyl-_ (2r_3s)-rel- 106350.8981 272162.7431 27617.2712 59261.6447 40736.7529 47703.6372 141281.0720 67997.6729 53465.5435 60882.0529
3-Guanidinopropanoate 3-Guanidinopropanoic acid 59873.9070 59273.6289 57894.1296 61845.7521 48176.5701 75405.5243 84543.2728 77289.5624 85017.7800 69191.2821
3-hydroxy-3-methylglutaric acid 3-Hydroxymethylglutaric acid 830968.0989 460591.9080 690924.3139 468287.4737 448789.4360 439900.8211 575857.5818 598053.8757 606895.8679 644991.0079
3-hydroxy-7-methoxyflavone 8510.5291 9457.9427 7109.0651 9140.1630 10438.7554 3214.2057 3009.0881 2563.3760 2570.9285 3118.0721
3-hydroxyglutaric acid 3-Hydroxyglutaric acid 195467.9240 270103.9335 308959.8844 150832.1613 117369.0178 528238.1914 657153.0039 481480.0180 502185.1477 483577.0761
3-hydroxyoctanoic acid 3-Hydroxyoctanoic acid 8474.8796 18343.3642 22848.3578 6563.7332 4630.9263 42030.5885 51064.1749 26892.3483 31184.5159 28665.8911
3-hydroxyphenylacetic acid 3-Hydroxyphenylacetic acid 14745.2809 15495.5128 12476.4773 17373.3596 21335.0855 4929.1978 6099.5717 6129.3017 4449.4480 5257.4311
3-iodobenzoic acid 1251.5346 830.4253 1269.0137 919.4859 1031.6355 2271.1458 903.1968 1398.4684 1325.6347 1285.4660
3-ketofusidic acid 3397.8959 1168.6057 2649.4221 2810.0425 561.3054 4133.5839 15213.5326 3553.2172 4159.5341 1810.7233
3-methoxy-4-hydroxyphenylglycol sulfate 45132.3817 47040.0080 38222.3650 46302.1655 58644.8657 13011.0366 18821.1276 21672.5769 11964.6087 20220.2885
3-methylcytidine 3-Methylcytidine 36691.5344 33353.4124 23126.3361 39841.8560 24188.2104 19230.5776 17559.7221 20689.7802 18658.0867 16306.0314
3-Methylhistidine 3-Methylhistidine 40620.8514 44429.0844 38238.6629 38329.3741 37554.3878 51887.8551 68660.2461 68641.8456 67348.1462 70071.6679
3-(n-maleimidopropionyl)biocytin 67659.5146 64791.0863 53116.5438 64390.7202 64977.4232 42675.9755 57644.8694 59432.8867 67657.5236 61623.3284
3-Phospho-D-glycerate 3-Phosphoglyceric acid 225088.3888 163114.4119 128838.6850 162269.1758 265411.1940 47144.8902 39251.2587 128363.4189 212803.5143 120394.7328
4-caffeoylquinic acid 7789.8202 6327.8746 4196.3608 4278.0660 5637.4667 6796.8966 9313.9236 7426.9520 6716.6364 7090.9741
[(4e)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2_3_6_7_8_9-hexahydrooxecin-3-yl] (e)-but-2-enoate 3682.8121 3281.9112 2138.8774 775.1455 2789.1004 1144.5277 2302.2494 2231.7797 2132.4270 1455.9973
4-hydroxybenzaldehyde 4-Hydroxybenzaldehyde 105160.1221 98463.3669 77875.3423 45876.4064 78083.6638 84817.3520 143841.1629 63437.7830 112629.4063 103427.3732
4-hydroxybenzenesulfonic acid 4-Hydroxybenzenesulfonic acid 21641.2436 17087.4249 29558.7969 15340.1933 31443.3725 12983.4526 11326.7944 8156.9123 4413.1861 11842.3042
4-hydroxybenzoate 4-Hydroxybenzoic acid 27038.7703 13391.3841 11557.6837 18146.7899 8553.1778 9183.2435 9873.1581 8731.2591 8688.0070 9664.9366
4-hydroxyphenylmaraviroc 4062.1138 3263.5784 3698.6924 1827.8530 713.1854 5670.8766 14083.8829 5384.9040 3769.4366 3017.3820
4-hydroxytriamterene sulfate 17490.1216 18132.8099 18076.9649 22049.1722 18428.3508 17973.3677 19609.2036 14990.0471 20592.1433 12093.2866
4-morpholinopropanesulfonic acid 61232.4548 122861.2857 78705.0787 50073.0614 62052.6739 54047.6610 95287.1692 37682.9344 136972.7101 293844.0391
4-nitrophenol 4-Nitrophenol 30416.0661 28376.4804 27370.2469 27878.8495 24076.5943 19574.8030 35954.8683 31610.7471 51350.2282 28145.5847
4-pyridoxic acid 4-Pyridoxic acid 47062.7032 28464.2845 69323.7592 52872.3138 49819.3127 24521.0701 109195.8724 98446.4799 66553.4924 127774.2184
5_6-dihydroxyindole-2-carboxylic acid 5,6-Dihydroxyindole-2-carboxylic acid 3968.1441 37881.0930 41387.7072 33998.2378 30924.2461 115169.9047 124853.5661 57063.2115 48404.6971 71328.3345
5_7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methylbut-2-enyl)-2_3-dihydrochromen-4-one 8443.6814 11643.3772 7075.9083 5667.5783 11827.8658 16535.8327 6483.9192 8263.0429 8921.9253 8503.8811
5_8-dimethylquinolin-4-ol 23102.2807 15877.6016 3634.3198 18359.2105 11717.1856 5267.2972 1741.6080 3515.4221 7468.0834 2308.0798
5-amino-2-(3_4^-dihydroxy-4_4_7_8a-tetramethyl-6^-oxospiro[2_3_4a_5_6_7-hexahydro-1h-naphthalene-8_2^-3_8-dihydrofuro[2_3-e]isoindole]-7^-yl)-5-oxopentanoic acid 1901.9685 1854.1336 2010.1002 2203.9624 1849.8526 1583.6132 3858.3378 1322.2869 2202.6076 1649.6642
5-aminoimidazole-4-carboxamide 5-Aminoimidazole-4-carboxamide 12337.2764 12072.9645 15144.6980 17169.6069 11426.3608 18123.2050 37593.9672 22165.5608 35472.4534 8776.9654
5-ethyl-2^-deoxyuridine 11147.6252 3472.9911 2812.7412 1971.7399 11891.7822 5184.8282 6073.0251 2626.4296 4940.0997 6000.4818
5-heptenoic acid_ 7-[(1r_2r_3s_5s)-2-[(1e_3s)-3-(2_3-dihydro-1h-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl]-_ (5z)- 61790.1308 83093.1997 48834.0924 80710.4465 62123.5070 111181.7935 78645.4436 42771.4555 55789.3299 39685.7852
5-heptenoic acid_ 7-[(1s_2s_3s_5r)-3-[[(4-iodophenyl)sulfonyl]amino]-6_6-dimethylbicyclo[3.1.1]hept-2-yl]-_ (5z)- 3326.2141 3265.2034 3423.0834 4180.1832 4448.0942 1365.8218 1078.1415 1459.7798 1114.7650 1406.6253
5-iodouridine 5127.6975 5158.2124 4629.7324 3566.6476 5703.7868 4229.9341 5328.5386 4364.1480 4811.7556 3590.1843
5^-O-methylthymidine 5151.3998 5981.0102 2537.9252 6058.4251 1697.8660 5389.0848 7505.5580 2941.6164 1515.0491 3185.6712
5^-phosphoribosyl-5-amino-4-imidazolecarboxamide (aicar) AICAR-P 29543.5218 27214.8132 17740.9952 29092.9547 28671.6197 16521.8384 33040.6871 28580.8400 38648.5815 30755.2744
6-[4_5-dihydroxy-6-methyl-3-[(2s_3r_4r_5r_6s)-3_4_5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5_7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 11395.6244 11245.5369 10740.2650 9398.3840 8869.5387 10975.9886 19183.8033 19831.4933 20368.4205 17650.6932
6_8-dihydroxy-2_2_4_4-tetramethyl-7-(3-methylbutanoyl)-9-(2-methylpropyl)-9h-xanthene-1_3-dione 43551.9464 59687.7367 30389.4473 49251.7283 36223.6309 60238.7210 57788.7956 35627.0070 31013.7397 26061.3095
(+)-6-aminopenicillanic acid 6-Aminopenicillanic acid 172983.6258 168645.8012 138949.3591 193945.3111 186115.6859 100827.5705 150074.5503 163364.3230 179024.2787 170365.0523
[6]-gingerol Gingerol 392827.1661 376580.2395 632928.4330 923045.7243 293537.7808 548892.4085 619216.2521 685521.5787 317389.4629 498898.2156
7-(2-hydroxypropan-2-yl)-1_4a-dimethyl-2_3_4_5_6_7_8_8a-octahydronaphthalen-1-ol 839.5796 3441.7647 1302.0143 2529.7849 844.6311 3634.4490 5052.6893 4617.4862 2394.4619 3138.3173
7-hydroxymethotrexate 7-Hydroxymethotrexate 5574.2821 3173.5918 4395.5031 6058.8080 5653.9986 3908.5514 3834.8423 1782.6047 1065.9466 2307.5751
8_11-tridecadienoic acid_ 13-(3-pentyl-2-oxiranyl)-_ (8z_11z)- 40054.6316 44273.3605 48830.4411 65537.6089 28768.2301 39379.8797 48083.1138 43364.3040 23830.1446 35929.0706
8-gingerol 24891.5779 35686.4397 21875.5269 29021.3086 19434.2266 25897.2443 31818.5681 19937.8034 23708.1316 16973.0543
8-hydroxyquinoline-2-carbaldehyde 7167.8517 6168.9900 6871.6668 4395.1718 6379.8776 9494.3042 21667.2524 8182.7172 8828.0744 10767.6824
Abietic acid Abietic acid 18977.6857 28726.6434 8692.4854 11171.6396 10327.1313 37865.4689 11618.9849 8788.5083 3411.9188 15389.1620
Acamprosate Acamprosate 352993.9788 491721.3469 319906.1692 516024.5680 295447.0441 312354.5334 584579.6863 322238.8043 563413.6000 669094.1793
Acarbose Acarbose 1811.7899 2564.5255 2447.2977 2254.7134 2102.8484 1588.1954 1171.3244 1456.5815 1404.1178 1633.8396
Acetyl-coa Acetyl-CoA 35675.1462 45272.8077 41413.5620 36644.3017 57717.0573 13251.8324 18793.5606 19132.7675 27532.5472 32524.1544
Acetyl-dl-leucine 41327.1903 39520.0874 25242.7448 19484.4132 22976.6792 46619.1033 46564.7020 44506.4162 44814.8090 44007.2069
Acetylglycine N-Acetylglycine 85446.0566 87099.6843 75010.9635 87154.0068 84587.7128 67663.6664 110660.3360 100805.1549 105564.5255 116258.1953
Adenosine 2^-monophosphate Adenosine 2'-phosphate 7290.9724 7165.1413 2882.2543 6241.3172 3143.1071 10680.4759 45197.9526 29157.9329 25382.4283 9422.9293
Adenosine 3^_5^-cyclic monophosphate 3',5' cyclic AMP 8256.6947 8431.4289 6275.1008 5436.2896 5576.9238 4025.7645 2928.8101 3273.2628 3131.4806 3534.0037
Adenosine 3^-monophosphate 3'-AMP 53661.4643 51720.9060 56427.1575 58804.2368 51930.8245 37074.2959 103591.7064 38279.1612 38641.9886 35093.3255
Adenosine 5^-diphosphate ADP 790765.6261 917301.8173 811023.8784 889777.9206 1133504.5450 717215.5942 1266547.7390 1024889.9940 1327735.3870 967316.2232
Adenosine 5^-diphosphate (ADP) ADP 82364.7675 53164.9745 35788.7907 115684.5399 114867.1770 61710.6023 118560.4318 82843.8105 109563.5112 68582.7126
Adenosine 5^-diphosphoribose ADP-ribose 198692.8560 208788.4847 208416.5969 182317.6603 230999.3492 123755.7728 150170.8341 140890.4901 172798.1166 144324.3337
Adenosine 5^-phosphosulfate Adenosine phosphosulfate 926891.9515 611514.4558 415644.8672 703839.0373 486600.9080 624836.1437 1706794.9940 1181803.6600 1321644.0680 607243.0634
Adenosine 5^-(tetrahydrogen triphosphate)_ 3^-(4-benzoylbenzoate) 3220.6433 1890.7528 2173.0923 1566.5450 1475.1004 2931.6303 1582.1566 2975.6080 2627.5887 2038.1667
Adenylyl(3^-5^)cytidine 24854.2716 49866.1521 56923.5079 28246.8728 21916.5180 68060.0906 47219.9619 33968.2982 39225.3870 34277.7252
Adynerin 12449.5100 9775.7645 8181.8060 5145.3263 7036.8297 21330.6651 40839.9913 5052.2014 9640.5419 4840.7206
Agnuside 3587.2426 3555.3031 3456.1188 3430.5360 3243.8509 2936.2685 2889.2175 3350.4135 3271.1805 3764.5736
Alanine Alanine 2814032.1320 2734943.7780 2568384.8040 2721359.1630 2577139.2290 1641806.1430 2174559.6730 2033550.4530 2208640.3790 2142247.5980
Ala-Thr Ala-Thr 8848.9194 12824.6061 10882.0843 7649.3767 10058.9213 7906.8876 15223.7420 10383.4682 10902.1879 10036.6153
Alisol a 24-acetate 2283.8694 3010.7557 2181.6887 2196.4262 2289.0559 2185.4728 2422.5147 2791.6353 1732.4623 1674.3070
Aloin Aloin 6933.0656 6772.7486 4877.6357 6199.9147 5765.5050 9116.8956 13695.6893 15190.4132 11416.1762 11076.5962
Aloin A 1488.6177 2784.8767 1160.0123 855.0419 1154.1565 2204.5452 2230.8756 1456.7868 1947.7140 1066.9613
.alpha._.alpha.^-trehalose 6-phosphate 45913.8977 50848.6531 54396.5619 35392.9593 67361.0432 933.0553 4137.6355 18986.0702 10403.5890 50682.5505
Alpha-chaconine 275674.9563 102603.0537 147734.6589 178356.6128 202636.1167 131921.3188 499496.7133 216381.5706 226865.0004 224395.5284
.alpha.-d-galactose 1-phosphate Galactose 1-phosphate 9854.8810 11394.9014 10445.7486 5148.9561 9474.7732 7926.2335 12768.5529 12265.3542 14511.5021 13301.5906
Alpha-D-Glucose Glucose 185053.7422 173533.3130 130266.0395 162418.9550 161637.1212 119392.3647 198931.2994 218351.3344 228613.9362 224722.0017
Alpha-d-glucose 1-phosphate Glucose 1-phosphate 8303.7396 10915.8502 10835.8050 5001.1636 3928.7284 22822.5681 17925.9409 16963.9567 8986.9989 16787.9115
alpha-ketoglutarate 2-Oxoglutaric acid 29086.9697 47756.5927 52024.3223 31632.1154 39806.3464 37597.9002 27946.1672 18715.4032 28816.2670 30396.7293
Alpha-ketoisovaleric acid Ketoisovaleric acid 1192382.4360 1726253.3860 2625468.4390 1596291.0790 1185840.2570 658377.8603 914020.2116 227255.3341 408276.9540 415656.4943
.alpha.-methyl-l-tyrosine Metyrosine 4058.1563 2758.7727 2573.7089 3919.3224 2579.4590 4195.3967 4731.6436 3385.6119 1720.5442 3987.5056
Amastatin Amastatin 266521.1983 284184.1628 263170.9558 265584.7899 195215.5967 347999.2269 433597.4530 356232.3375 322429.7541 249699.8280
Amifostine Amifostine 52553.7425 57777.3713 52799.2366 67783.6297 44659.8334 45428.3337 114917.3586 98656.6433 100554.6204 34060.2212
Andrastin a 40785.0099 83032.8982 35152.8383 42337.6482 42927.5642 45458.9623 65456.1121 36775.2313 111336.9063 38467.0024
Anethole trans-Anethole 4867.7756 4897.0957 3691.8418 2315.1179 4602.9230 3057.3791 4596.9612 5370.5478 4467.4115 4782.6408
Arachidonic acid (peroxide free) Arachidonic acid 2839.5589 5636.8799 4200.6142 2670.8018 14134.0644 1877.9129 7888.3978 3891.1106 11316.8078 3573.5830
Araloside a 1331.1768 1795.8806 1756.5321 1688.7568 1125.5499 1954.7873 2907.3638 3036.8428 1696.8391 2239.5328
Asn-Pro Asn-Pro 5073.2029 5575.8578 5143.1754 5274.6196 3886.3908 3997.5375 5022.2928 4779.1221 3584.8876 5113.4122
Asn-Thr Asn-Thr 13938.9824 14570.5956 10010.1353 15296.5350 13382.5020 14319.6787 23337.3978 19578.1734 22705.3511 23700.7338
Asparagine Asparagine 58052.5511 82038.4996 65052.4000 71898.5969 57059.9899 40605.0776 48253.3246 43758.7190 47736.5449 42490.0721
Aspartic acid Aspartic acid 186782.1761 159185.5031 169704.2555 134139.9186 175075.8221 101932.8659 124653.5177 111722.8355 99803.6762 134393.6008
Bensulfuron-methyl 1305.3999 1129.2341 1655.1828 1705.6165 1131.8951 1184.0101 1236.9068 1077.3017 1053.2190 1398.8502
Benz[a]anthracene-1_7_12(2h)-trione_ 3_4-dihydro-8-hydroxy-3-methyl-_ (3s)- 10998.8655 10368.3517 10580.9700 10545.0112 10274.0312 9682.8518 10622.1130 11872.4693 10313.4205 10442.1980
Benzamide_ n-hydroxy-3-[3-(hydroxyamino)-3-oxo-1-propen-1-yl]- 3830.6595 6368.4293 4159.4581 6004.5992 4653.3715 2742.1749 2555.2523 2668.7538 2847.1751 2428.9167
Benzenepropanoic acid_ 5-(3-carboxybenzoyl)-2-[[(5e)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy]- 4344.3784 3860.1252 3725.7338 3192.0038 3979.6355 3560.3480 2749.4773 5224.1435 3621.6423 2375.5143
Benzoin Benzoin 56948.5978 40293.0372 29143.1390 59856.4899 29418.1242 34600.5782 26999.8131 25502.9381 165608.9926 23858.1314
Beta-D-Fructose 6-phosphate Fructose 6-phosphate 3775.4774 4014.0761 5025.1136 3330.3437 3549.3472 3454.8402 2591.8869 2634.2547 2912.4642 3067.8502
.beta.-glycerophosphate sn-Glycero-2-phosphate 29594.6679 26104.3956 15109.5642 25657.3909 23316.1584 8140.0111 24390.6740 16629.2267 14764.1999 19449.4994
.beta.-l-fucose 1-phosphate 68018.3122 68815.7795 75738.3952 66907.1934 32274.2202 72443.3702 102530.0929 71837.9177 45916.9277 70431.0145
.beta.-nicotinamide adenine dinucleotide(NAD) 124891.7683 127138.9023 109224.3335 112657.9329 123288.7120 117036.3953 121565.5356 124693.0810 153484.3400 148048.9510
Blood group b trisaccharide 5957.9401 5855.1678 6416.0139 5908.8341 5381.5979 7557.9337 5009.0060 5351.9627 5133.4317 5666.8584
Borrelidin 3679.8290 4886.6241 2603.8607 3435.8920 3858.3657 3840.6022 1753.6972 3836.3332 1807.1612 3963.5026
Brazilin 2165.4529 3329.8534 2450.3747 2844.7246 3339.6130 1312.8589 906.2509 1737.0320 1853.5892 1683.3647
Carbamoylaspartate Carbamoylaspartate 20102.5589 12495.5282 7138.5471 12959.7059 11029.1413 24259.9954 47296.5358 49785.9996 56407.0458 39094.7025
Cauloside c 2092.9473 1598.7096 1591.6491 1901.4619 1438.3449 2251.2838 2305.7523 981.7455 2883.8463 1142.7444
Cdp-ethanolamine CDP-Ethanolamine 13105.5529 11549.2325 11559.0152 12074.3934 11400.7090 10993.1392 17242.2066 16563.4567 22745.7531 10916.7518
Cefamandole Cefamandole 2975.6104 3354.7645 747.4360 2714.3336 4051.2234 193.5187 820.5912 940.5996 837.0796 1037.8487
Cer(d13:0_17:1)+HCOO Cer 13:0;O2/17:1* 952583.4837 1169292.0850 1167308.3870 1061590.0480 831641.3877 1008794.4040 929314.9790 700962.6999 1076671.9420 776964.4601
Cer(d13:0_18:1)+HCOO Cer 13:0;O2/18:1* 1194673.9870 1125300.7060 1090749.1620 1127735.6570 1039937.5430 1293340.6520 1267456.6940 1049174.5310 1191300.8210 1123131.3780
Cer(d14:1_26:2)+HCOO Cer 14:1;O2/26:2 3910854.4680 3770889.6240 3595231.5090 3845387.7570 3545529.5120 5477292.2770 5064980.1520 4039179.3880 4766115.7250 5275001.6580
Cer(d15:0_26:1)+HCOO Cer 15:0;O2/26:1 8324272.8850 8287666.5560 7284605.6580 7289614.9100 6789056.7440 10716143.0100 8633282.0290 9192103.2510 10019897.1000 9127815.7620
Cer(d15:1_17:1)+HCOO Cer 15:1;O2/17:1 1466634.9000 1586661.4100 1687276.6180 1559328.5080 1752738.4000 1797524.7840 1234050.0260 1175614.8280 1461729.0450 1243684.4600
Cer(d16:1_16:0)+HCOO Cer 16:1;O2/16:0 13626729.9000 11495027.2100 12728951.7600 12737052.2800 12389813.8800 18616389.7900 14811745.3300 12213072.5600 16917827.6200 14406824.8100
Cer(d16:1_25:0)+HCOO Cer 16:1;O2/25:0 552376.9799 779951.0104 905653.5124 764922.9681 820976.0341 1193808.8960 1382225.8050 928571.3978 1275098.2750 992978.4011
Cer(d17:0_24:0)+HCOO Cer 17:0;O2/24:0 2198554.8650 2098444.3640 1976498.9760 2048125.5410 1865193.6250 3334154.7080 2922150.5340 2215286.5900 3104276.8270 2644021.9600
Cer(d17:1_16:0)+HCOO Cer 17:1;O2/16:0 24958966.1800 25281609.0600 24456913.4500 24943383.2300 22008678.5500 40124467.1000 30005991.7300 26359888.9400 33050801.2900 29499694.9600
Cer(d17:1_22:0)+HCOO Cer 17:1;O2/22:0 1247982.2850 1101639.7880 1385795.7860 1023682.9020 1049697.2210 1733428.9330 1273027.7770 1288353.9170 1296134.0430 1688656.5830
Cer(d18:0_16:0)+HCOO Cer 18:0;O2/16:0 44513068.3300 40593342.0600 41855942.5800 44302438.2200 38718600.7400 48452025.9100 45683804.9800 37919041.9500 50486427.6500 44581266.2600
Cer(d18:0_18:0)+HCOO Cer 18:0;O2/18:0 13379235.6100 11235348.2100 11432777.8000 10652611.8300 11306247.6600 18507715.2000 15214675.1700 13431046.9700 15306942.8400 15328863.3100
Cer(d18:0_20:0)+HCOO Cer 18:0;O2/20:0 25479761.9200 22740340.5400 23241785.9000 20296959.2800 22234454.5400 36118511.9900 26061725.8300 24898487.1100 30743038.8600 25778426.4200
Cer(d18:0_21:0)+HCOO Cer 18:0;O2/21:0 4867276.1880 4718323.1280 4596125.6400 4571761.3160 4360086.7660 6787095.4770 5348525.7340 4905921.4700 6107455.4950 5072838.6300
Cer(d18:0_23:2)+HCOO Cer 18:0;O2/23:2* 5627735.0850 6056295.7380 5826337.3650 5539224.5760 5187212.7910 7927272.0970 6750556.8130 6658320.6170 8179707.9590 6191213.5000
Cer(d18:0_24:0)+HCOO Cer 18:0;O2/24:0 43590298.7800 45065734.1000 44278645.1600 40260920.6200 39572354.9500 36568797.4300 31136974.3600 35197803.7900 34418475.4900 29839897.2900
Cer(d18:1_16:0)-H Cer 18:1;O2/16:0 856990.5115 940740.2944 982097.2536 571252.0142 919438.8309 1041394.1540 1141350.5200 1094836.0560 1329127.7700 1073824.1800
Cer(d18:1_16:0)+HCOO Cer 18:1;O2/16:0 339305357.2000 337926860.3000 333179206.3000 322380547.6000 296000868.2000 523423683.1000 436989100 348319256.1000 466132153.1000 388814730.8000
Cer(d18:1_17:0)+HCOO Cer 18:1;O2/17:0 13623076.3100 12396213.6800 12172764.7300 11901319.4200 11050014.8900 19237571.1500 14148429.8800 13572810.6600 16628559.1000 15612952.7000
Cer(d18:1_18:0)+HCOO Cer 18:1;O2/18:0 126450317.4000 115039108.8000 114515880.4000 119285390.2000 110909886.6000 166339212.3000 139275175.5000 129796498.2000 151603240.1000 145682099.2000
Cer(d18:1_20:0)+HCOO Cer 18:1;O2/20:0 98058437.9100 93024490.7700 95348182.2200 91325120.7800 88502457.2400 128349431.2000 103153252.4000 91422349.4800 113978088.3000 98350068.3600
Cer(d18:1_22:0)+HCOO Cer 18:1;O2/22:0 496144019.7000 477852978.4000 482253381.2000 450940981.4000 434885645.5000 651388364.5000 501338380.5000 466979554.4000 573227166.5000 487742495.9000
Cer(d18:1_23:0)+HCOO Cer 18:1;O2/23:0 224693190.3000 232427849.9000 223038583.2000 213656536.7000 199831548.8000 295326759.6000 226169311.1000 209759669.8000 266601379.4000 215729602.3000
Cer(d18:1_23:0+O)-H Cer 18:1;O2/23:0;O 7515690.8970 8268977.3580 8508356.4030 7252161.5580 7279996.6910 11190805.4000 8766520.2400 8314443.5290 10106919.2300 7651520.6340
Cer(d18:1_24:0)+HCOO Cer 18:1;O2/24:0 1248523962 1215746726 1183453615 1170526832 1109950733 1517601087 1205240964 1152092093 1343614418 1157045536
Cer(d18:1_25:0)+HCOO Cer 18:1;O2/25:0 27521054.8500 27595990.2900 27840570.2300 25953445.5300 24653037.3000 42563923.0800 32213758.6500 31487900.3600 37839949.7600 30746888.0700
Cer(d18:1_25:1)+HCOO Cer 18:1;O2/25:1 6029411.5740 5672078.9200 5968298.9060 5583328.4760 5213167.0200 8917505.6730 6611548.4320 5646771.8530 7723555.6630 6508487.4800
Cer(d18:1_26:1)+HCOO Cer 18:1;O2/26:1 44017175.6100 42074709.8400 41769220.0400 41067393.5000 39446917.8200 50922115.5200 38763541.7400 34908547 43886806.0700 39368262.4600
Cer(d18:2_16:0)+HCOO Cer 18:2;O2/16:0 25060594.2300 26188764.0300 27968090.0400 24980403.8500 23579934.9200 37737332.8300 32043581.4500 31770350.4300 37230684.6800 31015688.6200
Cer(d18:2_16:0+O)+HCOO Cer 18:2;O2/16:0;O 6517112.7770 5837972.7740 5600654.0440 6790418.0100 6168794.6790 8432319.2630 6026768.0980 5211631.0470 7258066.9530 6510155.1570
Cer(d18:2_18:0)+HCOO Cer 18:2;O2/18:0 11813402.4800 10666776.7200 10777305.5500 12010250.8000 11045369.2800 15821451.6000 11177918.0100 10131501.9300 14196615.8900 12692740.8000
Cer(d18:2_22:0)+HCOO Cer 18:2;O2/22:0 101636886.2000 91197200.8800 94211481.3100 90886934.9300 90722830.3800 150293901.2000 120777227.8000 104033584.5000 140989161.4000 121837650.3000
Cer(d18:2_23:0)+HCOO Cer 18:2;O2/23:0 110926488.9000 106254544.4000 106137818.6000 101007333.9000 97301897.7300 182041713.8000 130557431.3000 115973995.3000 151070344.5000 126272202.7000
Cer(d18:2_23:1)+HCOO Cer 18:2;O2/23:1 5338755.3490 4406155.8190 4809025.5200 4824615.8810 4597954.3500 9623911.9590 7481862.3140 7263853.8300 9121163.2860 7842685.8730
Cer(d18:2_24:0)+HCOO Cer 18:2;O2/24:0 1002723358 989001664.4000 1031649159 983246584.5000 929450461.8000 1411414442 1119954367 980384268.6000 1276956652 1092707400
Cer(d18:2_24:1)+HCOO Cer 18:2;O2/24:1 259324397.8000 248269832.7000 308204806.8000 249094718.6000 240263283.1000 409271540.7000 311385941.3000 304071805.7000 398751661.1000 312821031.8000
Cer(d18:2_25:1)+HCOO Cer 18:2;O2/25:1 5754465.5360 5988333.5370 5889604.2840 5778030.0080 5856053.2950 9937088.7720 8284567.4050 7050734.2080 9858508.4390 8218601.3360
Cer(d18:2_26:1)+HCOO Cer 18:2;O2/26:1 13091697.2500 12505922.7100 13458558.4200 12778291.8100 11544553.5500 15354476.4400 14160895.7500 12805116.0300 16660401.1600 12059284.0100
Cer(d19:0_23:4)+HCOO Cer 19:0;O2/23:4* 5648970.4660 6802691.7740 7674621.9850 5634983.3600 5986967.3980 15383811.5900 12535370.2800 11282132.1300 13625768.5300 13427246.3500
Cer(d19:0_25:0+O)+HCOO Cer 19:0;O2/25:0;O 1490052.7140 1489990.1080 1445632.3220 1441892.3040 1164790.1990 1525377.5980 1302340.6880 1289855.1320 1357318.1410 1270738.4240
Cer(d19:1_15:0+O)+HCOO Cer 19:1;O2/15:0;O 2516961.9720 1994688.5400 2710285.4670 2602327.5410 2146210.0600 4570757.9920 3995420.7900 3285706.3120 3884114.1920 3391463.5640
Cer(d20:1_24:0)+HCOO Cer 20:1;O2/24:0 33882132.1500 34386669.7000 34150578.7600 33378449.8600 31117592.0600 31852291.1300 26621693.2600 25950277.9300 29930706.4200 25264047.0900
Cer(d20:2_19:0)+HCOO Cer 20:2;O2/19:0 3016049.3580 2313136.5610 2580361.9790 2402226.0150 2509169.8520 5002812.6880 4028835.0460 3920818.9740 4634158.5550 4336266.3810
Cer(d21:1_22:0+O)+HCOO Cer 21:1;O2/22:0;O 1473639.2680 1386217.9450 1430303.9950 1119558.8020 1323901.8620 1880676.4730 718263.2660 1568472.7590 1444163.9120 1549583.7160
Cer(d22:1_20:0)+HCOO Cer 22:1;O2/20:0 5651512.1780 5066421.9060 4469889.8520 4673259.9490 3723462.1560 6906420.7780 5664212.8110 4894339.1890 5642585.0720 4606443.5750
Cer(d23:2_15:0)+HCOO Cer 23:2;O2/15:0* 1440685.4500 7013171.5020 1452815.2140 1572954.2570 1525688.4830 2015341.9990 2444174.2980 1999821.2440 2247316.8610 2763115.5400
Cer(d24:1_21:0)+HCOO Cer 24:1;O2/21:0* 743961.4900 635446.9885 621148.3913 863648.3111 494983.6818 739384.2813 535497.9383 726579.5496 539905.5990 709910.4287
Cer(d24:2_17:0)+HCOO Cer 24:2;O2/17:0* 2218078.5130 1292153.5760 103223118.2000 44175088.3500 7492554.8250 6462152.0580 22518299.4400 543848097.5000 6324440.9480 51933520.4100
Cer(d32:1+O)+HCOO Cer 32:1;O3 883622.0082 759384.1685 933685.2009 861979.1268 956786.4949 1158441.1720 901131.2962 934874.3124 1146127.9710 1038033.3650
Cer(d34:1+O)+HCOO Cer 34:1;O3 1431965.2780 1842479.4950 2118288.9390 1924007.7700 1567532.5000 2278212.1100 2024749.6230 1893331.8780 2147073.8110 1911471.5230
Cer(d37:1)+HCOO Cer 37:1;O2 2096255.1200 1915981.5260 2555178.9900 2078004.2010 2214753.0950 4625502.6420 4088339.3200 2675719.5110 3577159.3560 3327895.9110
Cer(d38:1)+HCOO Cer 38:1;O2 1950891.4640 1786429.5210 1800381.4730 1966449.0160 1194999.6030 4502445.5640 2656717.1090 1957732.0070 3177579.0590 2045311.3400
Cer(d40:0)+HCOO Cer 40:0;O2 42108307.4100 39074619.5400 40764898.1700 37457584.7000 35827998.5000 51336041.2900 38079715.6600 36632347.7100 44240187.6200 38499878.8500
Cer(d40:1)+HCOO Cer 40:1;O2 26353414.2300 16307262.1200 25408411.1700 16758415.5900 17002896.7700 38863483.4200 19789342.4100 25695102.4300 23344338.8000 20491849.3900
Cer(d40:1+O)+HCOO Cer 40:1;O3 5287695.4770 5611281.5370 5152369.3330 5260975.4810 4762470.2110 7103180.8680 5713916.8130 5290036.1970 6124917.9780 5768017.0800
Cer(d41:0)+HCOO Cer 41:0;O2 9674556.3650 9841021.6520 9368299.0070 9586543.6710 8570365.3780 10685225.5800 9358111.9430 8455086.8860 9822993.1830 8433723.5430
Cer(d41:0+O)-H Cer 41:0;O3 6418884.3790 7133202.3070 6886069.0740 6934261.7800 6037638.6850 8615404.7360 6624269.3370 5998554.6600 7701665.4410 6129497.3670
Cer(d41:0+O)+HCOO Cer 41:0;O3 2077789.2180 1944346.5730 1976005.2250 1822198.8590 2115346.2560 2818663.3990 2241431.0150 1614093.1250 1871191.9910 1700266.9950
Cer(d41:1+O)+HCOO Cer 41:1;O3 5792413.6240 5701206.1610 5348818.0610 5291222.3660 5135718.9770 7996445.3240 6242985.9070 5746352.8520 7328543.4590 5702287.7740
Cer(d42:1)+HCOO Cer 42:1;O2 57569838.1100 60097676.7300 55353032.1500 55961223.3300 54506713.1600 80739246.2000 55103501.7900 46499969.6200 54211963.8700 60768297.6800
Cer(d42:1+O)+HCOO Cer 42:1;O3 28786181.2000 27341648.5900 27118059.0500 25345526.2500 25721179.4800 39978015.7200 28702365.8200 29059396.4300 34269747.2400 27858131.3500
Cer(d42:2)+HCOO Cer 42:2;O2 10501250.1200 8686938.2680 7629793.2940 7791902.0230 6099135.3170 9993126.1410 10031651.6700 8150488.2510 9211436.9900 8549543.3990
Cer(d42:2+O)-H Cer 42:2;O3 1454343.2060 1758815.7490 730030.0682 1492110.9340 583458.9315 1016799.4610 1028617.2270 1086370.0420 1119080.5330 566416.6259
Cer(d44:1+O)+HCOO Cer 44:1;O3 2919933.2130 2993627.3100 2859013.9650 2657437.0240 2405713.3560 3282685.4640 2568090.6770 2561392.5100 3156997.1950 2641991.4540
Cer(d44:4)+HCOO Cer 44:4;O2 1899342.5800 1565928.1160 1699021.2930 1558835.8790 1511756.5650 3055799.2920 2007640.2480 1714135.9610 2646444.5910 2238597.6800
Cer(d45:2)+HCOO Cer 45:2;O2 715020.4477 549457.2696 647557.8715 617427.8838 631052.2400 763427.6148 453455.7805 433509.4512 641041.7256 512102.1633
Cer(d46:0+O)+HCOO Cer 46:0;O3 573496.5464 425300.9213 374620.0879 396035.9066 376235.8656 452413.1682 346701.6341 471942.1857 376248.7716 405691.1189
Cer(d47:0+O)+HCOO Cer 47:0;O3 196792.4542 104212.7217 110079.6628 92953.6944 137273.9984 59965.5452 127857.3427 109277.0006 160908.7372 126078.3962
Cer(d48:0+O)+HCOO Cer 48:0;O3 275535.7615 194043.2655 156896.5497 128136.1902 139801.4927 224395.7255 200897.5538 135650.4188 129224.7665 184647.3862
CerG2GNAc1(d30:0)-H 1029327.1570 976920.7490 560702.3094 936022.5199 826821.5483 167040.1015 1176944.1060 996397.9595 1160751.3790 1337403.0590
CerG2GNAc1(d36:3)-H 2604650.6760 1000806.9860 1333494.2690 962558.3971 2152991.6070 3988688.4320 3709066.9090 2654417.8410 2762647.0290 2355733.8140
CerG2GNAc1(d37:1)-H 1186238.8040 1301315.9820 1297879.7090 945899.6919 1127832.7760 1792685.7080 1535550.7910 1280883.1750 1545933.4640 1498277.4640
CerG2GNAc1(d38:6)+HCOO 1246999.7330 279839.3505 445828.4486 245618.9283 975744.5291 1624630.0750 1544223.7080 1136381.5690 1172417.9410 778105.8896
CerG2GNAc1(d44:4)+HCOO 1582041.5440 1384103.8000 1301765.3010 1219119.8490 1489479.9110 1106846.0850 1130110.4120 925022.9042 1023370.4990 1250188.1850
CerG2GNAc1(m44:5)-H 10974860.2100 106474444 8818718.4390 8460336.2120 98841831.6200 30711207.3700 27434554.8600 31270939.4400 27851445.0700 29347483.5900
CerG2GNAc1(t31:2)-H 543249.7133 745105.8592 671410.5136 811803.3739 634705.3055 703156.1164 1184131.9970 1059630.1490 1066059.9650 1547636.8600
CerG2GNAc1(t33:2)-H 5049650.7160 5584641.6390 5747770.2190 5878256.1290 5803483.0370 5965196.1160 7801985.0790 7455388.0020 6701394.3430 7945380.1260
CerG2GNAc1(t34:2)-H 2337583.5550 2563232.0120 2390875.5550 2342028.7620 2389935.4650 2769509.4780 2335325.7480 2273943.6750 2238025.5800 2140586.3950
CerG2GNAc1(t35:2)-H 2870937.7290 2655306.3400 2805928.6920 2524492.8660 2549361.3810 2664727.0190 2026280.7860 1994238.9050 2348467.3550 1985059.5470
CerG2GNAc1(t37:5)+HCOO 1355100.0330 1236172.3920 1195249.6610 1130750.7770 1126524.0770 1217294.2260 982008.0904 991430.7632 1100698.9240 879790.9210
CerG3GNAc1(d36:1)+HCOO 2642278.0510 2700107.1930 2269727.9450 2006096.6290 2383736.7370 2409849.2920 2440967.2550 2865961.5090 2488851.1550 2248330.8200
CerG3GNAc1(d42:3)+HCOO 2164193.1100 1898486.1520 2285963.5810 1639901.6020 1689482.5010 2168122.6890 2073392.7250 3002771.0260 2399492.7460 3136612.6690
CerG3GNAc1(d43:1)+HCOO 1993288.9470 1753279.5060 1717132.7130 1663089.7440 1679836.0430 2546513.2460 2474814.0740 2843979.2030 2482075.9080 2259238.2390
CerG3GNAc2(d42:3)-H 1520156.6400 1867586.1800 1513457.6960 1562294.7850 1722234.7120 1662570.6020 2037489.3450 2500373.3670 1709196.2780 2377458.3600
CerG3GNAc2(m39:1)-H 2116032.0090 2278548.3840 2448405.2410 2064229.9170 2131915.5880 2138173.4010 2069044.8410 2720873.8450 2616710.9460 2992149.4870
CerG3GNAc2(m47:6)-H 1123014.2950 1313149.4620 1448634.9420 1554153.7900 1595040.8750 1387056.4970 1825869.9200 1670622.2960 1622785.1280 1955919.5650
Cer(m17:0_18:1+O)+HCOO Cer 17:0;O/18:1;O* 12067475.5500 10821465.8200 10521100.1400 10547860.2400 9572288.2680 16338578.3400 12077616.2500 11886875.0500 14588588.1700 13294384.4500
Cer(m20:0_20:1+O)+HCOO Cer 20:0;O/20:1;O* 25548452.0600 20032458.4800 23397130.3800 14184324.5600 15604720.6800 35687934.0400 26514168.5400 25807381.2000 34098405.9900 20344535.6100
Cer(m20:0_23:4)+HCOO Cer 20:0;O/23:4* 5037707.6720 4871603.1640 5439253.8650 4652440.0750 4893542.7720 5874495.8500 7258326.8820 5086913.7120 5646594.5130 5327957.2740
Cer(m22:0_16:1+O)+HCOO Cer 22:0;O/16:1;O* 83886434.6900 79522231.9600 82520884.8900 79656767.2700 76572198.9200 110906413.7000 89892469.9000 78219917.2900 98378494.1300 85681374.6400
Cer(m22:0_22:0+O)+HCOO Cer 22:0;O/22:0;O* 1623804.8800 1732918.2040 1615385.6270 1521305.6070 1620707.3210 1145984.8250 1080628.5010 1464764.5970 1306574.0110 1026720.3470
Cer(m22:1_22:0+O)+HCOO Cer 22:1;O/22:0;O* 3220357.6370 1149691.2210 2175787.9950 809578.9343 1873358.8180 1246301.3220 554625.7981 1931157.2380 995644.7498 682808.4095
Cer(m22:1_24:0+O)+HCOO Cer 22:1;O/24:0;O* 667930.0874 576014.1492 466119.6735 423204.0901 401509.3063 512155.8939 322931.7238 435501.0218 495763.8596 413833.3360
Cer(m31:1+O)+HCOO Cer 31:1;O2 1194928.2580 1124959.2880 1090930.2010 1127088.1290 1040059.5270 1293004.1230 1267515.6650 1049653.4260 1191331.8560 1123117.6540
Cer(m32:0+O)+HCOO Cer 32:0;O2 820254.3417 852667.1716 1010129.2210 1157944.2430 815698.5401 1484907.9920 732860.8651 904773.9033 921438.4637 783101.6012
Cer(m34:0+O)+HCOO Cer 34:0;O2 37621912.0800 34607436.5900 35711723.7900 37305561.4700 33643461.3500 41243334.4300 39805502.4400 32817159.3800 42791173.7900 38851539.9600
Cer(m36:0+O)+HCOO Cer 36:0;O2 11424373.2100 9824584.3730 9690382.3750 9268921.0550 9492596.0540 15696145.4900 13040843.1900 11526790.2500 13428728.4000 13381681.7900
Cer(m37:0+O)+HCOO Cer 37:0;O2 1771888.5740 1810948.7320 2386507.4380 1713199.2430 1770987.4230 2721176.7880 2389654.6400 1958045.1050 2500052.1530 2282725.3710
Cer(m37:1+O)+HCOO Cer 37:1;O2 7968508.0440 7394352.0090 7606220.2150 6905092.9260 6790830.0930 11248257.2300 10409038.7000 8438580.2820 9954899.1710 10011569.4200
Cer(m38:0+O)+HCOO Cer 38:0;O2 22279931.8800 20323054.3800 20289538.4700 18285216.7600 19452802.7200 32257179.3400 22587949.5700 21569157.9100 27346362.4400 22782704.3500
Cer(m40:0+O)+HCOO Cer 40:0;O2 36943895.4600 34562532.6700 36001091.9000 33170818.6300 31435060.4000 44891111.2900 33609037.1000 32339303.9200 38815946.1600 34122355.5700
Cer(m40:1+O)+HCOO Cer 40:1;O2 435106792.1000 418882338.4000 421942096.7000 394209876.5000 381050222.6000 569189988.4000 441086295.6000 409243168 503331251.8000 426625014.1000
Cer(m41:0+O)+HCOO Cer 41:0;O2 9424793.1870 8673680.1760 9297972.8470 8336625.3910 8140535.5470 9915634.2400 8321466.0340 7971162.3600 9896095.0330 8013922.1230
Cer(m41:1+O)+HCOO Cer 41:1;O2 5334212.2860 5996848.3300 5771784.8370 5607575.3240 5143088.8620 8126402.3270 5644695.6550 6258156.8890 7091153.5040 4821726.5440
Cer(m42:0)+HCOO Cer 42:0;O 17198155.7200 19471853.3100 18119080.9700 17087735.3300 16782943.6100 27179837.0200 20171800.4300 20080154.5500 24109269.5100 17951842.7500
Cer(m42:0+O)+HCOO Cer 42:0;O2 5772532.3310 5906208.7230 5701533.9600 5057649.1860 4964860.3660 7806030.2010 5659015.6640 5867250.1110 6061220.7610 5362828.5030
Cer(m42:1)+HCOO Cer 42:1;O 12639073.3900 12768912.6600 11582706.4500 11977321.8400 11743423.5300 23137327.6200 18048826.2600 16822508.7900 20474147.7600 16098335.5400
Cer(m42:2)+HCOO Cer 42:2;O 12732151.1500 11732448.5800 11888885.8800 10905387.1500 9532522.9630 26150813.0300 17631297.3000 17961781.0400 20932719.8300 14875818.8400
Cer(m43:0+O)+HCOO Cer 43:0;O2 1359079.8940 1417136.1290 1305590.3980 1417110.7870 1094065.4820 1023003.4820 1343907.4200 1086797.5360 1269777.1310 1118697.6510
Cer(m43:1)+HCOO Cer 43:1;O* 1091122.9630 1270016.6810 1070964.7000 1044720.4270 779472.2391 1631653.0060 1217168.8770 1123616.7980 1245371.0380 1179841.4730
Cer(m43:1+O)+HCOO Cer 43:1;O2 961169.6830 1435592.9290 1704957.9690 1384365.3200 1057400.4550 681492.1430 1709366.7560 617151.4662 1584656.5110 1055989.0630
Cer(m45:1+O)+HCOO Cer 45:1;O2 571033.6651 688368.4615 599685.0424 871430.5506 460529.3264 746371.2925 548954.6717 630897.6072 497466.0821 696278.8076
CerP(d34:2)+HCOO CerP 34:2;O2 883647.5263 1178176.8900 1411175.1950 734506.0773 714425.1250 1165890.8540 1346361.7770 742135.6214 1128341.6570 842787.7594
CerP(d35:2)+HCOO CerP 35:2;O2 855379.0827 852076.0954 952382.1296 782451.4038 816194.3817 1212025.6440 892994.3485 817745.2019 1002386.5580 433716.2456
CerP(d36:2)+HCOO CerP 36:2;O2 6110234.0680 6370109.8450 6724384.0220 6689051.8930 6229513.7110 9327786.7960 6447346.3020 7161540.6370 8013449.3130 7619651.0520
CerP(d36:3)+HCOO CerP 36:3;O2 434804.9033 1191358.1800 450355.4252 632480.2066 894830.1863 1473019.3070 997731.6737 986395.9345 1238156.0020 1542465.9400
CerP(d42:2)+HCOO CerP 42:2;O2 64631387.4400 69866188.3200 67102482.5600 63706411.6000 62324392.5900 84575921.9700 70552236.1000 68680505.8800 77514173.8900 64880393.1000
CerP(d43:2)+HCOO CerP 43:2;O2 1307236.5010 1047286.8090 1237197.7430 1089301.2800 1061789.6350 1343949.0700 769061.5515 766953.5808 974064.7875 871385.8087
CerP(d44:3)+HCOO CerP 44:3;O2 559325.2758 1357607.9650 1975020.9990 2210419.2200 780438.3744 1585295.5380 1960935.6290 1381220.5280 562341.9974 1074956.4330
CerP(t41:2)-H 1832681.1790 1929992.7920 1987630.1850 2014568.0480 2095043.7230 2427438.1520 2500134.4900 2760766.2790 2233566.0510 2691899.7140
CerP(t46:4)+HCOO 61613020.1400 64564697.3500 60787694 60098358.1800 57167911.6300 59465991.6800 46134207.6700 47094504.9800 53943843.5400 43125238.5200
Cer(t16:0_18:1)+HCOO Cer 16:0;O3/18:1 1432679.0240 1841288.1740 2069732.1470 1923184.7300 1568141.0550 2278106.7920 2024578.9390 1893642.0620 2147266.4430 1912206.7990
Cer(t16:0_25:0)+HCOO Cer 16:0;O3/25:0 2773782.7870 3134487.4920 2933088.8460 2985975.1550 2785137.6430 3834540.6110 2837781.5130 3527173.9520 3850221.6090 3132765.6670
Cer(t16:0_25:5)+HCOO Cer 16:0;O3/25:5* 224412299 578098.4494 331131163.7000 216763634.5000 269869034.9000 265800063.6000 300161782.7000 324765250.2000 418953377.3000 362070903.4000
Cer(t16:0_26:2)-H Cer 16:0;O3/26:2 2081915.5170 2109355.9270 2387365.3610 2202118.2630 2117992.6320 2764550.7990 2313329.9150 2214794.9030 2840347.6300 1856674.3730
Cer(t16:1_16:0)-H Cer 16:1;O3/16:0* 1407657.8210 1252745.9200 1160829.5060 1485786.0050 1283138.8700 1820110.5100 1699275.4060 1416013.4960 1740031.6850 1703777.7050
Cer(t16:1_18:1)-H Cer 16:1;O3/18:1* 3395965.4580 3349602.0750 3397661.0700 4049412.2740 3531249.9890 4627420.9940 3858167.2200 2834602.3940 4207891.7870 3727901.0270
Cer(t17:0_22:0)+HCOO Cer 17:0;O3/22:0 1939210.4160 1572452.3360 1718970.4460 1645073.6770 1404203.2810 2030990.1360 1556342.7310 1681140.3070 1936416.4890 1474530.5430
Cer(t17:0_23:0)+HCOO Cer 17:0;O3/23:0 6081457.7130 5740326.2310 5498705.9320 5247548.4020 5145803.4950 7432527.7990 5648169.0700 5604713.6550 6316405.7460 5469661.9830
Cer(t17:0_24:1)+HCOO Cer 17:0;O3/24:1 5737153.3030 5701355.5330 5331210.0800 5317467.1840 5054955.2280 7908427.0880 6235613.7880 5687788.6430 7266701.3760 5588558.0090
Cer(t17:0_25:2)+HCOO Cer 17:0;O3/25:2* 2262372.6820 2091529.0680 1885252.2630 1894409.9440 2076505.2510 3688162.2180 2513327.4840 2589588.5970 4158612.4300 3670778.5430
Cer(t17:1_24:0)+HCOO Cer 17:1;O3/24:0 5210894.4280 2881047.2740 5504981.3660 2659545.5490 2208696.8480 6957934.6920 6051310.7890 5493360.4380 3632383.2340 3392060.0890
Cer(t17:1_24:1)+HCOO Cer 17:1;O3/24:1* 2016783.3280 1795746.2290 1926142.0740 1654891.6590 1759040.3430 3663619.0180 2660290.0650 2538591.6260 2956030.6410 2454585.5580
Cer(t17:1_26:2)-H Cer 17:1;O3/26:2* 1007247.6560 959788.3895 1015942.7890 966432.7617 902275.9472 1071736.6600 903010.7382 983973.4495 1039902.5780 958252.1925
Cer(t18:0_24:0)-H Cer 18:0;O3/24:0 4577305.5660 4423337.5140 4294372.9560 4107200.6780 4110768.7740 5035515.3260 3607060.5150 3631266.7690 4489579.1740 3572150.3310
Cer(t18:0_24:0+O)+HCOO Cer 18:0;O3/24:0;O 3068042.6820 2858184.9580 2695998.1100 3016764.5120 2759558.7240 4896284.6200 3612307.3370 3726232.8460 4389441.2450 3525154.0070
Cer(t18:0_24:1)+HCOO Cer 18:0;O3/24:1 4410901.7990 4316531.5810 4130774.9320 3870844.3990 3836086.8940 5140437.4910 3876305.6600 3661002.4340 4197303.8570 3639697.3460
Cer(t18:0_26:0+O)+HCOO Cer 18:0;O3/26:0;O 247734.9274 265456.6117 147596.9644 366166.7959 220855.0047 394218.0447 237147.0627 300384.4641 271286.3525 275782.4604
Cer(t18:0_26:2)+HCOO Cer 18:0;O3/26:2 7467295.7710 8082084.8530 8173901.1010 8111063.8700 7952694.0510 11211455.9000 11011514.9300 9386578.2500 10254682.6200 10294189.7800
Cer(t18:1_22:0)+HCOO Cer 18:1;O3/22:0 5372851.7030 5226880.4860 4895508.3180 4598835.0370 4711061.1240 8558121.5800 7115170.3900 6927819.8130 8006355.7890 7331507.7480
Cer(t18:1_24:0)+HCOO Cer 18:1;O3/24:0 36229530.1300 34765114.9000 34331911.4200 31946750.6900 32416138.8300 50152900.7800 36119621.0800 36308705.0600 42635300.7100 35236143.8600
Cer(t18:1_24:1)+HCOO Cer 18:1;O3/24:1 8042925.5490 7005628.5050 7163682.0310 6444354.8120 6739386.4050 15132968.5500 11521473.0800 12368710.0700 12520252.5800 11957642.3300
Cer(t18:1_24:2)-H Cer 18:1;O3/24:2* 3035140.5150 2916071.0340 3225363.0650 3066258.2210 3135311.7880 3882709.9110 3447044.2550 3429861.1720 3513546.8900 3699109.9560
Cer(t20:0_24:1)+HCOO Cer 20:0;O3/24:1 880012.8070 666135.8391 808306.4400 568646.6967 782761.6077 960883.7036 703604.1547 841471.6675 1057852.7110 751418.7881
Cer(t20:0_26:5)+HCOO Cer 20:0;O3/26:5* 1356758.4180 860584.0316 5072471.2700 4289636.5480 1080084.7240 2152594.1090 1451022.5750 1728261.3500 1380670.0580 1376461.6670
Cer(t20:1_22:0+O)+HCOO Cer 20:1;O3/22:0;O* 1447336.8990 1359823.3470 1403314.2610 1448230.6760 1569585.5210 2349514.5360 2173741.1300 2163614.2330 2377139.4240 2269130.6310
Cer(t34:1)+HCOO Cer 34:1;O3 5569477.7950 5062607.1830 5815825.3450 5833635.9980 4722066.2830 9322749.0900 8172267.0860 6995646.1280 8837286.9570 7588391.7430
Cer(t40:1)+HCOO Cer 40:1;O3 5343062.3640 5552562.6580 5138625.5070 5077743.6020 4860975.4240 7205666.6140 5679355.0870 5320426.6410 6141399.4880 5806828.1660
Cer(t41:1)+HCOO Cer 41:1;O3 11640626.5400 12366996.3000 12253546.9500 11601098.4900 11007879.3500 17090498.2500 13557910.0800 12699834.2500 15930681.5900 12475244.8400
Cer(t42:1)-H Cer 42:1;O3 1210350.0990 1394276.5560 1409168.4780 1356465.9360 1214778.1400 1755556.5400 1319098.8030 1361495.6640 1507073.3270 1069522.4900
Cer(t42:3)-H Cer 42:3;O3 1518884.7410 1548529.8800 1640853.4720 1551707.7530 1471091.3750 1926971.8540 1667246.7380 1621854.6770 1830425.5810 1478631.8350
Cer(t46:0)+HCOO Cer 46:0;O3 573542.6917 425431.6709 374583.7940 396001.6511 375729.6305 452394.9258 346794.9807 471953.5998 376504.8934 405713.6728
Chlorophene 24866.3813 5631.1518 5824.2476 23226.8554 1311.7933 5219.1050 3413.2941 22778.9077 43548.5700 19349.0311
Cholesteryl sulfate Cholesterol sulfate 138066.6809 249002.1327 158751.6775 139568.4642 229382.7300 181749.7289 289831.4724 155050.1304 429963.8691 192040.8681
Cinchonine Cinchonine 411807.9858 474037.2802 169949.1305 283250.1735 183788.0955 566272.8387 324217.3726 203989.9423 379192.7286 315539.0718
Cis-9-palmitoleic acid Palmitoleic acid 50096.1680 68437.6753 43852.2514 65932.0785 51322.8151 50847.0670 80002.3489 59642.0738 106457.2647 50949.2240
Cis-aconitate cis-Aconitic acid 58093.2175 65476.5410 89116.1585 49592.2969 53814.3062 93316.6705 148826.3797 131142.8468 130564.9741 176112.0151
Cis_cis-muconic acid 33255421.5400 31939194.0300 54057136.8700 40534661.4200 31441728.2300 19621194.0300 53968869.8800 28976121.2700 35527811.6700 59432645.1900
Cis-vaccenic acid cis-Vaccenic acid 163972.7273 233956.7661 119439.2341 165188.8629 241786.8445 170879.8191 437375.2271 249964.7487 508164.0311 225145.9609
Citraconic acid Citraconic acid 78935.2239 90152.0025 114244.2942 90374.4250 78283.7648 112218.0639 176317.8377 154973.3817 155790.3571 207154.2947
Citrate Citric acid 5455680.7180 5074822.8490 7263838.2750 5436364.7280 4613092.2510 5068902.6740 5761669.3030 7566024.2160 9308680.1800 8249943.2610
Ciwujianoside b 1539.2327 934.5701 1572.0933 1784.7510 1114.8453 3334.8744 3579.7102 2669.1636 1778.5789 1332.9098
CL(10:2_18:1_24:1_18:2)-H CL 10:2_18:1_18:2_24:1* 308117.3398 2410808.7330 124038.0083 183695.4112 244166.7750 543061.2360 447319.1639 362024.2632 477692.1270 650855.2571
CL(12:1_22:2_20:3_18:0)-2H CL 12:1_18:0_20:3_22:2* 2165089.8660 1965575.5600 2113704.7010 1877425.9620 1603300.7470 2029428.5830 1234702.1590 1534438.5690 1174280.1870 1155017.2380
CL(14:0_16:0_16:0_18:1)-H CL 14:0_16:0_16:0_18:1 1929676.2570 2171754.3900 1961466.2090 1552768.5400 1713533.2130 4061673.7840 3639297 4214833.4060 3668110.3880 3416855.5360
CL(14:0_16:0_16:1_16:0)-H CL 14:0_16:0_16:0_16:1* 805577.2095 565176.7377 571146.6804 412838.5416 577949.5167 1129636.8810 925190.8820 1345785.1530 952695.7183 928312.7074
CL(14:0_16:1_16:0_18:1)-H CL 14:0_16:0_16:1_18:1 8313273.0080 7750546.8940 7673863.9000 6706780.4370 7195502.7510 14205436.9600 12528587.5100 13267811.8500 13325380.6700 12687152.0700
CL(14:0_16:1_16:1_16:0)-H CL 14:0_16:0_16:1_16:1* 1902121.0810 2152631.4530 2175008.2780 1831025.6140 1958814.5920 3553856.1170 3010640.7330 3040119.9490 3232828.4960 3068558.4330
CL(14:0_16:1_16:1_18:1)-H CL 14:0_16:1_16:1_18:1 25318371.4700 25018190.2900 25360734.3400 21808801.5200 22172483.0500 30680149.6300 25409331.8900 24428123.1400 28097948.4100 25414756.5300
CL(14:0_18:1_16:0_18:1)-H CL 14:0_16:0_18:1_18:1 25746940.1600 27611917.8700 25572994.6100 23534579.9700 20567864.6100 40281324.8300 39604388.9500 47212617.3500 44974470.1900 35759741.9600
CL(15:0_16:1_16:1_16:1)-H CL 15:0_16:1_16:1_16:1* 1764813.5470 1506722.9510 1555439.5900 1310390.5930 1394509.4780 2102803.2250 1443523.3350 1456045.5070 1693157.3020 1471679.2230
CL(15:0_18:1_16:0_18:1)-H CL 15:0_16:0_18:1_18:1 6102716.1620 5501735.2610 6028455.0070 4486287.4070 4627396.4840 10493344.5800 10453378.1200 9888105.0210 9502508.3760 9132405.1570
CL(15:0_20:4_18:1_16:0)-H CL 15:0_16:0_18:1_20:4* 1732847.8760 2498464.5280 1559130.0210 1763965.1140 2193981.8810 3827576.7700 2931998.6370 2415168.5400 3778061.6030 2863535.4520
CL(16:0_16:0_16:0_18:1)-H CL 16:0_16:0_16:0_18:1 3295766.0850 3380191.9290 2596908.5660 2394616.9210 2484766.1030 6245140.0410 5794262.4220 7150412.9650 4990147.6520 5248353.1800
CL(16:1_16:1_16:1_14:0)-H CL 14:0_16:1_16:1_16:1 3723001.4400 3478450.9210 3698155.9990 2920750.4950 2993932.8520 4056323.5020 3293488.1590 2766215.5860 3500749.1820 3214404.2830
CL(16:1_16:1_16:1_16:1)-H CL 16:1/16:1/16:1/16:1 22787768.1700 22502749.9700 23195275.3500 19232058.1500 18613365.8600 27318679.7800 20505871.1300 19112505.0600 23588659.5600 22190682.9700
CL(16:1_16:1_16:1_18:2)-H CL 16:1_16:1_16:1_18:2 3078416.3700 2856731.3740 2963377.6930 3488279.1580 2300021.9730 3490333.7060 3185185.5410 3214363.8010 3156889.8440 2950349.0910
CL(17:0_18:1_16:0_18:1)-H CL 16:0_17:0_18:1_18:1 7352607.8910 6953166.3160 5510887.4780 5612273.8510 5792089.7080 11388858.8300 10449540.0500 10426250.0700 9642746.3510 9552834.9070
CL(17:0_18:1_16:1_18:1)-H CL 16:1_17:0_18:1_18:1* 22539016.9200 20214715.2000 20242467.8700 16817641.1600 17786184.1100 32772219.9600 30262281.7100 29882034.4600 31851312.5100 27429665.8600
CL(17:0_18:1_18:1_18:1)-H CL 17:0_18:1_18:1_18:1 8560107.2210 7226024.2010 7708985.0140 6514208.4080 6929235.3050 10334323.6400 8442961.0140 10570267.1900 10335246.5800 9176603.4430
CL(17:0_20:4_18:1_18:1)-H CL 17:0_18:1_18:1_20:4* 2084435.8660 1712227.8770 1904517.1160 1553845.6800 1648112.0230 2278081.7380 2290636.7820 2667335.1620 2147546.2460 2244838.1400
CL(17:0_22:4_22:5_22:6)-2H CL 17:0_22:4_22:5_22:6* 8372937.7210 7598284.1950 8445928.6150 12259399.9400 6184351.0180 17555824.4200 19801237.5200 15126321.2800 20521824.1300 11876806.9300
CL(17:1_14:0_16:1_18:1)-H CL 14:0_16:1_17:1_18:1* 9170594.6440 9077939.5460 9187106.5570 7818003.3370 8079704.1020 11261344.3700 9171012.9650 9620675.7970 10718555.5500 9456324.6690
CL(17:1_16:0_16:1_18:1)-H CL 16:0_16:1_17:1_18:1* 16996852.8400 18800972.8900 20016962.5500 16694562.4700 17813019.5400 27355984.0200 21213102.8500 26379449.4800 27143603.3200 25101466.4100
CL(17:1_16:0_20:4_16:1)-H CL 16:0_16:1_17:1_20:4* 3462798.4380 3199417.8740 3316589.4110 3028458.8220 3237440.9190 4739737.6690 4286321.2590 4515010.2410 4505062.9340 4260318.0900
CL(17:1_16:1_16:1_16:1)-H CL 16:1_16:1_16:1_17:1 9586305.0220 8818008.0950 7812640.8550 6683513.9540 7752321.6140 11321917.8400 8417616.1790 8584645.2370 9664382.4390 7679033.7750
CL(17:1_16:1_18:1_16:1)-H CL 16:1_16:1_17:1_18:1* 41295787.4300 41497078.9200 41767736.6800 37480076.7300 36810181.6100 51756581.9900 39352178.8800 41075645.9100 46126263.5300 40887341.7800
CL(17:1_16:1_18:2_16:1)-H CL 16:1_16:1_17:1_18:2 10297337.1400 10091449.7500 9041485.3580 8642677.6280 8863474.0430 13110654.5600 10464107.9400 10131878.1100 12155994.2100 10397518.3100
CL(17:1_16:1_18:2_18:1)-H CL 16:1_17:1_18:1_18:2 37222420.9600 35259126.4100 33386863.9200 31202565.2500 31816686.4800 45629766.3400 37219470.5800 40078337.7700 41123358.9400 37451555.4200
CL(17:1_16:1_20:4_18:2)-H CL 16:1_17:1_18:2_20:4 8105834.1940 8064860.8220 8220090.1730 7772719.2310 8060294.0500 9816326.9130 9603334.4550 9277533.0960 9700163.7750 8601527.7340
CL(17:1_16:1_22:5_18:2)-H CL 16:1_17:1_18:2_22:5* 1981076.3780 1995626.8280 1911466.6770 1753231.3220 1841718.6420 2711767.1840 2541733.6580 2464290.6240 2421114.2850 2136584.7700
CL(17:1_18:1_16:1_18:1)-H CL 16:1_17:1_18:1_18:1* 70557537.5600 66848079.9200 69697568.8200 59768193.5600 60276226.3200 83158524.5000 69156861.8600 73925550.1100 74483438.8100 69192538.3000
CL(17:1_18:1_18:1_18:1)-H CL 17:1_18:1_18:1_18:1 41808047.3900 33639289.5500 41583358.9500 34761861.1000 36593750.0900 49885224.0800 42029961.1700 46952441.8200 38465088.1100 41767685.4600
CL(17:1_18:1_18:2_18:1)-H CL 17:1_18:1_18:1_18:2 33032332.8000 33344666.7600 33769539.5600 29825946.7300 29615762 40178671.9500 35693876.2000 38112205.1400 39550575.9800 36675924.5800
CL(17:1_18:1_22:4_18:1)-2H CL 17:1_18:1_18:1_22:4* 13399330.0100 15688181.2700 13350279.9400 13970821.9700 10197487.8200 23301713.7600 17132047.1000 17174792.9200 21726992.1800 17594930.4800
CL(17:1_18:2_16:1_18:2)-H CL 16:1_17:1_18:2_18:2* 5445757.8310 4675267.5660 4559605.6740 4134949.6330 4227576.9050 7489375.8300 4947083.0750 5649055.9810 6052454.6460 5665874.0820
CL(17:1_18:2_18:1_18:1)-H CL 17:1_18:1_18:1_18:2 2305601.3330 2628667.7990 2079212.0380 2277926.6660 2404852.0160 3119371.6460 2941497.6320 3534562.8620 2824839.0870 2838573.5820
CL(17:1_18:2_18:2_18:1)-H CL 17:1_18:1_18:2_18:2 11229215.8200 11449969.4100 11224972.1600 10130988.1800 10359165.0800 14431586.6700 11765581.4000 13718727.9900 14086351.4700 12090627.6700
CL(17:1_18:2_20:3_16:1)-H CL 16:1_17:1_18:2_20:3 4815365.1380 4818743.3440 4574568.9050 4233778.4610 4654359.3800 6344851.1340 5862466.6640 5430512.3430 6088110.0700 4962704.8490
CL(17:1_20:3_18:1_18:2)-H CL 17:1_18:1_18:2_20:3 967312.2125 610792.2605 659710.0158 494771.8479 817749.0372 1453589.4980 751043.5274 1058769.1100 995856.0004 772924.4096
CL(17:1_20:4_14:0_16:1)-H CL 14:0_16:1_17:1_20:4* 1961856.3380 2145992.2040 2041080.6880 1812975.1010 1715695.8610 2546943.3190 2310957.1880 1915485.4630 2356947.7900 2026010.7190
CL(17:1_20:4_16:0_18:1)-H CL 16:0_17:1_18:1_20:4* 4571456.8870 5242133.4680 5306378.8910 4386592.5740 4660424.7620 7492390.6290 5774729.4870 7693039.6610 7658126.7360 6921370.7070
CL(17:1_20:4_16:1_16:1)-H CL 16:1_16:1_17:1_20:4 10421888.6900 10141021.8800 10350331.3900 9936030.0370 9486342.8090 11908168.5500 10623355.6500 10497130.7000 11299551.2800 10573712.0800
CL(17:1_20:4_16:1_18:1)-H CL 16:1_17:1_18:1_20:4* 13688617.7700 13281298.3200 14461947.7200 13630506.3000 13286470.7400 16013465.1800 14414737.0400 14346939.1400 15001582.3100 15183541.7400
CL(17:1_20:4_18:1_18:1)-H CL 17:1_18:1_18:1_20:4* 8349602.0300 8662270.0810 8584173.7470 7561120.0970 7327192.2430 8470128.4160 8549862.7820 8832684.6270 8233094.6640 8612441.2580
CL(17:1_20:4_18:1_18:2)-H CL 17:1_18:1_18:2_20:4 7349478.8850 6969263.2390 7027591.6450 6918283.6980 6839594.7300 8022013.2590 7590665.7720 7689288.2250 7635603.7850 8397734.5280
CL(18:1_16:0_15:0_16:1)-H CL 15:0_16:0_16:1_18:1* 2679055.2110 2569205.2760 2595453.4950 2243669.0120 2348356.4540 4611120.5920 4137238.7330 4391351.2580 4334006.8890 4003831.2100
CL(18:1_16:0_16:0_18:1)-H CL 16:0_16:0_18:1_18:1 57098642.4300 52768606.2800 51670694.5500 43101065.3000 45252341.9500 108514003.6000 94628115.4200 115623689.9000 100068887.9000 90584393.5500
CL(18:1_16:0_16:1_18:1)-H CL 16:0_16:1_18:1_18:1 97441265.3900 101233414.8000 100587969.7000 87016645.5400 84311548.2500 165658802.3000 156710642.5000 156342436.6000 188766615.3000 150496099.3000
CL(18:1_16:0_18:1_18:1)-H CL 16:0_18:1_18:1_18:1 71106661.3100 71011252.0700 62846189.1500 59083131.7800 58802185.1400 116630728.3000 103178656.4000 116468103.5000 104756758.1000 99122180.0700
CL(18:1_16:1_16:0_16:1)-H CL 16:0_16:1_16:1_18:1* 52047508.4100 52349225.8700 49765673.6500 45392620 47002806.2000 75144050.4400 66574332.7400 67433423.9400 74316769.7900 67675641.8000
CL(18:1_16:1_16:1_16:1)-H CL 16:1_16:1_16:1_18:1* 141997340.9000 137710651.4000 142264448.5000 123055251.1000 127063201.5000 167723960.1000 139256281.8000 139850793.2000 150243682.2000 140765825.3000
CL(18:1_16:1_16:1_18:1)-H CL 16:1_16:1_18:1_18:1 368705919.8000 342105575.9000 343627351.5000 301372088.6000 323113871.8000 67718199.5400 352435246.2000 381385569.1000 397816890.6000 375896250.6000
CL(18:1_16:1_18:1_18:1)-H CL 16:1_18:1_18:1_18:1 271962731.9000 292620059.1000 275826033.5000 263453782.8000 243848161.5000 392906168.1000 320386137.5000 312506868.3000 375661519.7000 307537421.4000
CL(18:1_16:1_18:2_16:0)-H CL 16:0_16:1_18:1_18:2 299343657 290444911.8000 287641218.9000 258588854.6000 278812293.7000 355420811.2000 294003003.8000 310598223.2000 332091875.4000 304732412.9000
CL(18:1_16:1_18:2_18:2)-H CL 16:1_18:1_18:2_18:2 19252696.7400 19801435.6800 19718941.3400 18829925.8000 18798465.9300 29038910.9600 28537688.9800 30131412.7100 28743794.3200 28495685.7800
CL(18:1_16:1_18:2_20:4)-H CL 16:1_18:1_18:2_20:4 18767347.9600 17819252.8300 19054676.6000 16401518 15658315.6700 36992094.2200 19873182.8600 27742295.6800 21653315.5900 26034564.0500
CL(18:1_18:0_20:0_20:0)-H CL 18:0_18:1_20:0_20:0* 5641268.4800 7410107.1100 8525984.4280 9478987.6430 8038435.5070 13102819.1900 12321291.3000 9487746.1980 12228842.5600 10298998.0800
CL(18:1_18:1_18:1_18:1)-H CL 18:1/18:1/18:1/18:1 84039439.0800 79955210.0800 78887498.3400 71761351.2200 66948354.0800 95316432.6400 77263769.1100 92061953.8400 90736400.3200 72402548.0500
CL(18:1_18:1_18:1_20:1)-H CL 18:1_18:1_18:1_20:1 3303201.1590 2477591.9680 2899848.6130 2146589.2650 2419962.1800 2282118.4150 2051339.7510 2144622.4040 2267254.8430 2219050.6800
CL(18:1_18:1_18:2_16:1)-H CL 16:1_18:1_18:1_18:2 5817175.2910 5786158.1080 5652462.2880 5096916.8140 5067198.5320 7960567.4160 349512.2667 7712943.4420 7419714.7910 7287438.8170
CL(18:1_18:1_20:3_18:1)-H CL 18:1_18:1_18:1_20:3 6923290.5610 8031079.7200 6966113.4040 6875326.3050 6398510.4250 6888028.8390 5906176.8560 6400646.6150 6627964.9020 6116927.6590
CL(18:1_20:3_18:1_18:2)-H CL 18:1_18:1_18:2_20:3 19987261.6200 17664971.7900 17967662.5700 16187845.3700 17184634.6300 19587535.2000 16743706.3000 18666321.4400 17198127.3800 16359100.3200
CL(18:2_14:1_16:1_18:2)-H CL 14:1_16:1_18:2_18:2 2369608.3250 2574041.2640 2934729.4060 2247772.4840 2313113.5040 3143979.2220 2785877.1280 2527341.2580 3057323.0670 2961389.3590
CL(18:2_16:1_16:1_16:1)-H CL 16:1_16:1_16:1_18:2 33439353.0600 31591141.3000 32591914.7000 28123302.6100 27540915.7600 40501328.5100 30897183.2800 30643800.8100 36129618.7100 31836323.2100
CL(18:2_16:1_16:1_18:2)-H CL 16:1_16:1_18:2_18:2 24516276.2300 24087412.5400 24209808.1400 20594088.8800 20827600.1900 31011605.8400 24243124.1600 24829923.7000 28372467.2600 24549225.8900
CL(18:2_16:1_16:1_20:3)-H CL 16:1_16:1_18:2_20:3 10099638.5900 9974527.1120 9829226.9910 8296121.3730 8463998.3500 12536781.9800 10014111.1600 10557096.7500 11757659.7300 10090744.7200
CL(18:2_16:1_18:1_16:1)-H CL 16:1_16:1_18:1_18:2 162489159.8000 160963378.9000 156355747.8000 141595227 144477445.9000 198539693.8000 166580568.6000 163382133.6000 181007821.1000 167726231
CL(18:2_16:1_18:1_18:2)-H CL 16:1_18:1_18:2_18:2 90416539.6500 96073146.3200 90726730.0600 85617693.0400 81359262.9300 121675566.4000 96804974.9500 101357792.2000 107887143.7000 93538506.9400
CL(18:2_16:1_18:2_20:4)-H CL 16:1_18:2_18:2_20:4* 22977494.7400 22383914.9700 23226345.5000 21649703.0100 21966451.7200 26959781.8500 25162970.2100 27234182.7000 28790585.8200 26837184.5100
CL(18:2_18:1_16:1_18:1)-H CL 16:1_18:1_18:1_18:2 277284761.4000 256952718.3000 265412579 235852374.2000 243852232.8000 369816083.9000 269681737.9000 313181040.5000 321245779.7000 304939020
CL(18:2_18:1_16:1_20:3)-H CL 16:1_18:1_18:2_20:3 43786210.2800 25310552.9400 24558882.5500 22802883.8600 20100722.9100 29757939.2500 26421681.4100 27311695.9800 29114151.6200 24612331.8400
CL(18:2_18:1_16:1_20:4)-H CL 16:1_18:1_18:2_20:4 37653135.7400 31534068.7800 34136020.6400 31992210.2900 37035251.5000 43315600.6800 38659888.0800 43755676.6700 42474040.7400 40528883.1200
CL(18:2_18:1_16:1_22:6)-H CL 16:1_18:1_18:2_22:6 5323776.7060 5436581.8500 5930648.6460 4568922.2170 4878460.8380 7563912.0210 6121512.7200 6622093.1380 7472520.8660 5927521.4630
CL(18:2_18:1_18:1_18:1)-H CL 18:1_18:1_18:1_18:2 144215520.2000 144132572.7000 112603506.4000 99806573.8700 126679909.2000 174168733.6000 153082893.2000 167752581.2000 164765778.2000 148386936.6000
CL(18:2_18:1_18:1_18:2)-H CL 18:1_18:1_18:2_18:2 82641829.5200 82514373.3400 83456384.1200 76840989.9400 76901304.2000 112750577.4000 91725875.7000 111771432.5000 101769145.3000 89554837.0600
CL(18:2_18:1_18:2_20:4)-H CL 18:1_18:2_18:2_20:4 12063051.5700 11814124.8500 11853371.3900 9747191.3180 13715574.0700 17828975.5400 17366394.7700 13376743.9000 19177386.5200 16857659.6200
CL(18:2_18:1_20:3_18:1)-H CL 18:1_18:1_18:2_20:3 8257717.3750 9733834.8850 10242438.7600 7845595.9110 6544635.2100 8368886.6150 9194637.8100 9047806.5720 8461693.0840 8916559.4020
CL(18:2_18:1_20:3_18:2)-H CL 18:1_18:2_18:2_20:3 7707596.5850 8923684.9490 8261268.8580 11677794.4200 8273073.8070 11542308.4000 8889357.2500 9775609.4690 10448711.4500 10125549.1800
CL(18:2_18:2_16:0_16:1)-H CL 16:0_16:1_18:2_18:2* 4144952.7980 4062057.6510 3466298.5460 3952238.6910 3928017.4270 7839270.0670 10440899.1100 5542382.9020 4974076.5770 5266451.2090
CL(18:2_18:2_16:0_18:1)-H CL 16:0_18:1_18:2_18:2 21628286.3400 19277647.0500 19274428.1400 19369695.3800 13513921.2500 31584760.3700 23406141.4800 30293389.4800 23150450.3000 28481521.3000
CL(18:2_18:2_18:1_18:1)-H CL 18:1_18:1_18:2_18:2 18779883.2600 17676608.7700 17752230.8100 15720942.7100 17013245.4900 26280657.7600 24926458.6100 27457819.2400 22766535.6500 24543417.1000
CL(18:2_20:3_20:3_18:1)-H CL 18:1_18:2_20:3_20:3 2497110.1320 2258418.8700 2301033.0300 2071637.2170 2230960.6740 2410693.0070 1626097.7150 1566228.4170 2266263.0330 1766580.2560
CL(18:2_20:4_20:4_16:1)-H CL 16:1_18:2_20:4_20:4* 2148796.7320 3145790.4760 2267364.6430 1838131.7300 1941447.6500 3208793.0370 3041037.6490 2599611.1000 3279619.2890 2354001.4040
CL(18:2_22:6_18:2_18:2)-H CL 18:2_18:2_18:2_22:6 1809693.2420 2080458.4050 2062927.1720 1929789.3830 1806700.7410 2391998.0180 2426743.7290 2091360.7440 2266906.1210 2226112.2310
CL(18:4_14:0_18:1_16:1)-H CL 14:0_16:1_18:1_18:4* 5459615.2280 5215418.3790 5482980.4710 4576729.9940 5120039.2690 6435408.8130 5854054.1190 5737193.1300 6148142.0340 6156734.4280
CL(18:4_16:0_16:1_18:1)-H CL 16:0_16:1_18:1_18:4* 8846626.8960 8856131.9770 8661598.0280 7862665.5590 8975094.3070 12159880.6600 12068086.5000 12181321.6900 12008981.0100 12284892.4800
CL(18:4_16:1_14:0_16:1)-H CL 14:0_16:1_16:1_18:4 1133846.9850 1019729.9230 1043919.9540 851198.0280 915338.1786 1130520.9200 938977.0762 917920.6689 1144146.5170 980878.2567
CL(18:4_16:1_16:1_16:1)-H CL 16:1_16:1_16:1_18:4* 7369613.9050 6918890.3690 7141265.4080 5836554.2600 5501962.2350 8257908.2340 6840412.2080 5840813.1200 7804920.2710 7086148.9750
CL(18:4_16:1_16:1_18:2)-H CL 16:1_16:1_18:2_18:4 10130612.6700 8396669.0130 9927585.2120 8676147.6760 8780897.2670 10704818.1400 10135474.8500 10008792.7900 11739199.1800 10181212.2200
CL(18:4_18:1_16:1_16:1)-H CL 16:1_16:1_18:1_18:4* 32515114.6700 33154040.0100 32420295.5400 31118517.4700 31082673.6400 37550704.1600 34405868.2900 33360756.7400 36182474.6700 34540691.5700
CL(18:4_18:1_22:6_16:1)-H CL 16:1_18:1_18:4_22:6 2183297.7390 1835907.0330 1882899.0550 1630924.3140 1203563.2020 2693106.9070 2051540.5020 2128693.5670 2481371.2100 1233585.6680
CL(18:4_18:2_16:1_18:1)-H CL 16:1_18:1_18:2_18:4 36992313.4200 36647747.4300 35730430.8300 32568915.8200 33589521.2600 43758273.5800 40576162.4900 40957320.7900 42072596.3200 39619108.4900
CL(19:0_22:6_16:0_16:0)-2H CL 16:0_16:0_19:0_22:6* 6971075.5910 5532684.7620 5541238.1000 5172864.6740 5200195.3430 12823652.9200 8247644.6330 7377398.9130 9334093.3940 6178681.2270
CL(19:1_18:1_18:1_18:1)-H CL 18:1_18:1_18:1_19:1 4152418.4560 3779847.2640 3850344.0220 3241240.4520 3344207.8150 3604750.3350 2921234.2700 3793383.1440 2465102.4400 2681046.8920
CL(19:1_18:2_18:1_18:1)-H CL 18:1_18:1_18:2_19:1 5477262.7060 4379598.1580 4483884.0450 4109532.9510 5584215.6660 5854364.5440 4785762.4600 5909347.2600 5554327.9830 4335312.3420
CL(19:1_18:2_18:1_18:2)-H CL 18:1_18:2_18:2_19:1 3213862.2630 3744656.7500 3949624.6620 3231514.9160 3246958.7180 4209764.4290 3829144.9750 4077358.2950 4067300.9770 3525473.9210
CL(19:1_20:4_18:2_18:1)-H CL 18:1_18:2_19:1_20:4* 857802.7260 985432.8006 948278.0953 906562.2179 852094.2000 816478.4278 1041454.7860 846029.4684 833272.3655 860747.8503
CL(20:4_15:1_16:1_16:1)-H CL 15:1_16:1_16:1_20:4* 2326399.4010 2390675.1030 2426962.4820 2045289.0070 2082514.2240 2823229.9540 2370778.9270 2389690.8980 2680626.1210 2577438.6620
CL(20:4_16:1_16:1_16:1)-H CL 16:1_16:1_16:1_20:4* 5120062.2150 4989494.3480 5567071.9920 4429351.8190 4445615.7600 6861489.6980 5419237.6440 5649500.2430 5838897.0030 5935281.5860
CL(20:4_16:1_16:1_18:1)-H CL 16:1_16:1_18:1_20:4* 43528167.8600 41190172.5400 42506440.7900 41086581.5900 42805849.1400 49673078.1300 48024509.9800 49219130.4500 49630490.7700 49258143.3000
CL(20:4_16:1_16:1_18:2)-H CL 16:1_16:1_18:2_20:4 6094567.4690 5695295.5660 7973223.0330 5576429.0210 4384886.7680 11242398.5100 8379719.0210 8150276.4640 6840138.1660 6098458.8290
CL(20:4_16:1_18:1_16:1)-H CL 16:1_16:1_18:1_20:4* 1812803.8660 793350.0133 1263720.4840 765199.8173 407816.6993 440196.2678 1149462.4400 1904227.1090 1834505.8370 1468120.5940
CL(20:4_16:1_18:1_18:1)-H CL 16:1_18:1_18:1_20:4* 41460823.2100 43650564.8300 44444002.4900 44518528.0300 49203579.4000 54674823.2400 47690084.5500 50926280.2700 50098984.3200 48409441.8400
CL(20:4_16:1_20:4_16:1)-H CL 16:1_16:1_20:4_20:4* 2893362.7970 2699553.0310 2927386.2450 2623223.3230 2533475.9940 3582385.9450 3088854.3470 3436187.5560 3301433.1100 2946058.5370
CL(20:5_16:1_15:0_18:2)-H CL 15:0_16:1_18:2_20:5 2628744.7340 2577275.9070 2664220.9620 2256793.5140 2353506.2940 3244371.5820 2849295.1960 2710653.6070 3081350.3770 2917140.4350
CL(20:5_16:1_16:1_18:2)-H CL 16:1_16:1_18:2_20:5 8186098.8250 7949104.5030 8150610.9580 7092599.4310 7154563.0880 10704426.3000 7475275.2660 8896354.6290 9983520.7370 9035148.4410
CL(21:0_16:0_20:0_22:6)-H CL 16:0_20:0_21:0_22:6* 589293732.4000 587978449.5000 585258003 605649475.5000 553188011.7000 809330156.4000 692665130 683997880.1000 786822227.7000 654265505.8000
CL(22:0_18:0_18:0_22:6)-H CL 18:0_18:0_22:0_22:6* 715173.3954 488994.7461 331484.0068 476524.2206 618312.5344 1070378.1520 741703.7952 1136367.0900 683857.5719 733422.7156
CL(22:0_20:3_22:4_16:0)-H CL 16:0_20:3_22:0_22:4* 1304851.1160 1127259.4150 1584972.0850 640790.2758 1160669.3100 1519174.6070 1143963.5580 1308794.3500 1263900.5970 1295497.5960
CL(22:0_20:3_22:4_18:1)-H CL 18:1_20:3_22:0_22:4* 5772821.1680 5397516.5190 5145861.9460 3505754.5330 4460317.7660 3332050.9590 5438039.2070 4910136.3020 5049226.0290 4975536.6600
CL(22:6_15:0_16:1_18:2)-H CL 15:0_16:1_18:2_22:6* 1264212.4810 1399796.6630 1350437.1050 1199028.8210 1154208.3660 1515761.5070 1638461.2000 1523944.8020 1677375.2940 1468920.1550
CL(22:6_16:1_16:1_18:2)-H CL 16:1_16:1_18:2_22:6 1079743.6080 761273.7671 1423849.2980 789618.4184 795298.9194 1504862.2540 891921.3839 917744.1360 1052928.2350 947953.5852
CL(22:6_18:0_18:0_22:0)-H CL 18:0_18:0_22:0_22:6* 2259199.7190 3032103.4340 2567714.7430 2533031.7870 2284943.2670 4271362.3350 3636077.3150 2969732.7650 3453756.2770 3393686.6460
CL(22:6_18:1_18:1_18:1)-H CL 18:1_18:1_18:1_22:6 1322139.0320 1439152.3040 1294243.5040 1194988.0970 1079557.1040 1750385.0680 1378239.4030 1330028.7200 1358231.7010 1388556.7650
CL(22:6_22:2_22:2_18:0)-H CL 18:0_22:2_22:2_22:6* 898325.9983 928717.2781 1015383.5700 514239.2090 827734.3581 1384668.1350 1240033.9500 1448124.1730 1251021.7330 1168384.3920
CL(24:0_20:1_18:0_18:1)-2H CL 18:0_18:1_20:1_24:0* 643597.6071 3121840.7030 664691.2087 628034.0334 609686.4406 689838.0087 356101.7430 2556575.6360 436534.1795 370651.3691
CL(24:2_18:1_18:0_16:1)-H CL 16:1_18:0_18:1_24:2* 6261177.6820 8971680.3350 7926799.5600 9427947.7130 6022725.5360 9735766.1980 10680699.9800 10576533.9900 9742044.2650 10597882.6900
CL(56:6)-H CL 56:6 322382.4248 436033.7508 343733.3609 912900.5246 187675.5655 1424588.6030 1164539.0020 1311246.8040 1135924.4350 1438464.0010
CL(58:6)-H CL 58:6 5433232.1410 5088527.2540 4186465.2330 4369742.1840 4345811.3000 16361771.9000 14712558.6800 15378265.6900 14736669.6400 15262018.2400
CL(63:2)-H CL 63:2* 773086.7623 858079.0559 821770.4785 532244.9899 575294.7972 1026696.4110 1127218.8010 965207.6446 1072299.2830 1097045.4550
CL(64:2)-H CL 64:2 120175.2838 162735.9778 50784.7625 28850.9980 223640.5906 349544.1752 153480.8806 48953.9323 420259.5551 34056.3930
CL(64:6)-2H CL 64:6 870227.6152 935152.4382 861984.7838 717523.2289 620779.8648 890690.3462 610760.5709 660290.6360 616570.3538 443669.1599
CL(65:1)-H CL 65:1 457889.4867 531459.2923 525402.7633 457300.1147 416760.8551 888183.3272 981576.1696 950438.9561 868469.3525 829002.7138
CL(65:4)-H CL 65:4 5655595.4690 5720702.6780 9604914.2130 7640252.1920 116587.4704 234800.7567 510226.4178 333386.7767 695243.8908 9217051.3930
CL(66:5)-H CL 66:5 1092139.8510 1197398.7990 1460727.8790 1221368.7480 1315213.5770 1817470.3460 2135986.3740 1894450.4730 2252394.0380 2245039.2650
CL(67:10)-H CL 67:10 2075193.8790 1381670.9780 1629407.1060 1297343.2830 1613713.5900 1715261.5440 2554243.7200 3018317.4570 2142091.9500 2781548.3750
CL(67:5)-H CL 67:5 489813.8723 425051.3105 444109.3549 482348.3458 514209.7459 1004826.6900 811510.0351 856708.9711 792563.1638 900386.4995
CL(67:6)-2H CL 67:6 1267772.4610 1447327.4370 1468511.4800 1308602.0980 1241227.7500 3734937.8480 2662224.8620 2622585.4840 3253185.3180 2686385.7340
CL(68:6)-H CL 68:6 3937500.6250 4359581.8680 4726225.7830 3313597.6750 4214325.2160 5378973.9530 6578375.7140 5591092.6150 6388916.0500 6160572.5350
CL(69:1)-2H CL 69:1 4974090.0240 5799685.2300 5906270.6490 5940390.6760 4741984.9800 5760039.9790 6037445.8550 5132027.4690 5804441.1010 5087733.8570
CL(70:0)-2H CL 70:0 13393296.8600 11215834.9900 10866361.3700 11661771.7500 11991321.9900 16850941.7700 14301301.2600 12978333.0900 15789064.5400 17752572.5400
CL(71:0)-H CL 71:0 4593122.0680 5055206.9580 4904110.4840 4667160.1420 4432845.6430 8830242.2480 5776092.8770 4618943.0500 7257663.3420 5118333.8160
CL(71:1)-2H CL 71:1 2042680.7110 2852669.5970 2799020.5920 2919452.0120 2856546.1730 3603039.4410 2766818.3860 2794605.1860 2613744.6910 2296489.9950
CL(71:1)-H CL 71:1 2391229.6410 1859793.2160 2090878.1580 2047522.8530 1884738.8160 2969290.3160 3544267.6760 3930881.1030 4647372.6590 3207234.6080
CL(71:2)-H CL 71:2 14824140.0400 16068946.1100 15145097.6000 14966513.0500 14197855.9700 21421714.0900 18609278.5400 16248267.1500 20245479.8500 17156999.0400
CL(71:3)-2H CL 71:3 1050962.9250 1317659.0150 1072322.4880 1123340.2540 679279.2913 1055951.2450 911513.0486 549433.2402 1263756.5970 482314.3456
CL(71:6)-2H CL 71:6 7069460.9420 7597485.6950 7345817.3090 7334739.4770 6560407.1050 11864612.8400 9376669.6790 8232277.1410 10889367.9700 9446698.6210
CL(71:8)-H CL 71:8 1549367.1200 1306304.0800 1277886.6350 1150016.8490 1295452.5460 2100542.8530 1535535.3530 1607017.2110 1834666.0070 1586772.2810
CL(72:10)-2H CL 72:10 577914.7496 1336296.1620 633100.0975 645510.0546 337685.6894 652683.9980 310167.6312 395331.0993 444113.8488 174694.2162
CL(72:11)-H CL 72:11 1043123.4760 1483167.6940 1544052.0060 1540782.5620 910959.6393 1818547.9660 1758548.5910 1317785.5940 1822888.3520 1788203.3850
CL(72:1)-H CL 72:1 8281839.8770 6657111.0590 7497867.3130 5231797.2720 7517816.1110 13402350.3900 8963566.2910 8585970.2800 12214634.4400 9632057.3320
CL(72:5)-H CL 72:5 2480059.7060 2200211.4100 2017261.7930 1817918.6730 2280989.3220 6579669.5470 3717747.9070 4009386.5660 4814050.2230 3694961.4220
CL(72:6)-H CL 72:6 4765908.3710 2387746.6940 2242047.6740 282038.6283 3396481.1430 8508072.9240 3095827.8750 4874648.7780 3751308.3000 332618.2619
CL(72:8)-H CL 72:8 1826505.1310 2648538.4200 1032445.0860 2070601.4050 2307231.3980 2258820.2020 2760816.5310 2058160.2980 1361186.5210 3111593.5650
CL(73:2)-2H CL 73:2 1601106.4420 1296043.3340 1456906.4520 1179587.3770 1752032.5690 1928217.4880 1447678.4560 1119843.0820 2098837.0070 1373773.8370
CL(73:3)-2H CL 73:3 616978.2481 840994.8091 435491.6843 508697.9534 614239.6543 1264338.6090 618000.3691 760960.2838 474875.9427 602747.0836
CL(73:3)-H CL 73:3 10939777.0700 11294248.1900 9007491.5810 11574355.6300 11456192.1700 18054151 13952297.7600 13507536.0800 15080956.9300 14812303.4100
CL(74:0)-H CL 74:0 15973926.4300 16452543.3600 16663899.3500 16273642.2900 15564526.2200 29874518.3900 22580032.1300 22856094.9800 26915752.3500 21726371.4700
CL(74:14)-H CL 74:14 936496.7772 1007454.7270 399709.5022 1528888.8770 529286.8613 1383439.9390 603112.5823 1103099.2940 955096.4703 558073.9916
CL(74:1)-H CL 74:1 6486177.4330 6271552.3110 6518007.7430 6493923.0760 6586715.8210 9084715.9500 6320715.5230 5268813.9520 8631342.2430 5591287.1400
CL(74:2)-H CL 74:2 3524128.7520 4159260.0320 3870272.1840 3971780.5450 3356396.7140 6313620.9670 4450484.0610 4176127.1360 2457000.7960 4575966.7110
CL(74:4)-2H CL 74:4 3402984.9670 3528831.5430 2524754.2640 3383138.9640 4222904.3730 11059306.5200 4312105.9580 4291420.3670 6505286.3340 4519683.6850
CL(74:5)-H CL 74:5 1368481.2180 1302613.6640 1389152.4730 903880.3537 1434316.9230 2342436.5630 2473079.0660 2454447.0560 2816693.9440 2096740.0900
CL(75:0)-H CL 75:0 3541420.4540 3151221.2480 2596241.6710 2516755.6880 2825447.2610 3466775.3880 1689023.7870 1987376.0470 2328086.3720 1927485.7380
CL(75:17)-H CL 75:17* 731648.2614 646821.4067 537815.0898 695634.1393 626958.6785 678202.3950 708843.4228 658526.2333 615079.5698 602117.4221
CL(75:1)-H CL 75:1 2336023.6880 2933183.4500 2719415.2790 2490254.5750 2398605.6170 3751019.1540 3688121.1120 2848238.3010 4048876.4190 2999760.1720
CL(75:2)-2H CL 75:2 13775644.2200 8402961.6250 10642813.3100 9079099.1750 13039799.1000 20331531.8400 13482079.2200 12893928.3700 14686486.0400 11826379.6000
CL(75:2)-H CL 75:2 2489330.7090 2073376.4750 1510751.9640 2122885.7620 2291601.3950 2631256.9050 2457687.2150 2259108.1960 2106588.7080 1915406.3360
CL(75:3)-H CL 75:3 563982.3308 501883.7216 893743.9519 523746.4900 772914.2239 635118.9446 391718.6083 60024.3792 582960.5984 446832.7034
CL(75:4)-H CL 75:4 578351426.8000 596472722.3000 578358389.9000 592916269.6000 540043146.1000 826519714.2000 700731170.5000 652102023 799475927.1000 711037485
CL(75:5)-H CL 75:5 4255167.1770 5180076.4110 4816416.6140 4465502.3720 4099716.2410 5917685.6930 5319537.0680 4737928.2320 7114547.4990 4263238.3610
CL(75:7)-H CL 75:7 704905.0894 564299.3865 663221.5603 609980.0283 600384.5143 520415.1256 449001.6953 533338.9384 516752.2576 514794.6221
CL(75:9)-H CL 75:9 984167.7719 1000730.1590 815915.1181 934231.8820 755285.6405 675627.9690 711912.8356 1011119.4480 745946.3244 796802.0424
CL(76:0)-H CL 76:0 16931236.7100 18774999.0700 18359416.5600 18840242.6900 15943499.3300 22415220.6300 19750764.9200 18337993.0200 23037877.7400 17491864.6700
CL(76:10)-H CL 76:10 3763256.6000 2898991.8350 2559894.2300 2601110.3350 2255697.1370 4926587.9690 2601387.2330 2827689.5800 4023249.4530 2788011.5960
CL(76:11)-H CL 76:11 1483670.6880 1383278.4670 1447964.0790 1220602.1340 1213623.2230 1833684.5750 1480942.0570 1786453.9400 1906360.8980 1455986.9410
CL(76:13)-H CL 76:13 1073824.4040 1052808.7650 1077924.3330 1026320.1220 913534.3243 1469283.0450 1188007.6800 1382905.8360 1276160.5670 1199124.0080
CL(76:14)-H CL 76:14 3160232.9330 3143701.0630 3137290.4720 2428681.0870 2669380.9460 4397942.1640 4944757.7810 4346521.0090 4517919.6970 4975430.8510
CL(76:15)-H CL 76:15 6556202.6850 6241987.4180 4850740.9740 6484233.9740 6774630.0730 7071741.5510 7658978.9670 7434823.3840 7460467.7980 7709167.2270
CL(76:2)-H CL 76:2 1735332.5500 1574515.5330 1888476.7710 1406562.0840 1502920.2450 2383638.2970 1441947.5140 1370441.8520 2261438.1880 1769231.4540
CL(76:6)-H CL 76:6 663420.4832 550405.0091 430896.1897 95746.8996 570442.0146 843570.6741 851866.6936 786880.8345 777884.0421 618609.8931
CL(76:7)-H CL 76:7 320464.3044 348170.2394 384220.0715 368859.8488 73154.5233 320196.8926 261208.6985 201772.6027 195975.4979 255677.6812
CL(76:8)-H CL 76:8 502329.0606 564122.8474 561539.3681 746964.3522 502340.8547 558222.5885 619822.9519 776177.1546 933652.8654 400744.8829
CL(77:0)-2H CL 77:0 1971814.1350 1852563.6420 1787365.5040 1877510.1280 1835957.2280 2321794.1940 1627316.5210 1579450.4690 2147687.9370 1669074.9640
CL(77:15)-H CL 77:15 2347000.2090 2427637.9960 2594960.8330 2374784.1600 2365685.4600 2520755.5370 2790659.6970 2617477.7930 2718151.1900 2461224.0700
CL(77:16)-H CL 77:16 253488.7945 447091.8033 238234.2797 605323.3793 173188.9890 314305.1550 320453.6677 289317.9788 476367.9069 524499.6185
CL(77:17)-H CL 77:17* 601620.4872 407492.3908 596841.6030 312198.4219 333544.0587 597458.9536 276321.8200 517135.1424 223716.3027 508364.7047
CL(77:2)-2H CL 77:2 2820913.6420 2603194.6260 4255196.4400 2670167.2860 4225439.2430 5240658.6460 2303776.7810 2316421.6160 2337627.8180 1737485.5180
CL(77:3)-H CL 77:3 1140946.4670 958692.7266 1183044.5880 922609.3846 1167498.9610 2368563.5700 1288761.3610 1260918.7250 1250311.5400 1086941.2070
CL(77:4)-H CL 77:4 3039144.8200 1904343.2830 2607714.4050 2479407.9530 2272715.3270 2368213.9610 1842132.6370 3122963.1400 867379.2476 1315717.3580
CL(77:5)-H CL 77:5 2185204.1990 2796183.6920 4739634.4150 5062923.5530 4300338.3320 5378513.5880 2297808.2560 4392050.2000 5319796.2680 4893331.8430
CL(77:6)-2H CL 77:6 45742090.4900 54075347.8400 46318004.7000 53645082.2700 43550885.1000 71388141.6000 63198600.9200 50259510.1600 61204357.8600 51133714.5000
CL(78:0)-H CL 78:0 1693347.9540 3368330.3180 3215596.1240 2325640.4270 7882917.3580 3163531.2530 2679037.7980 2379046.4050 3484618.1160 2731100.6630
CL(78:11)-2H CL 78:11 106299278.8000 108329146.2000 64779158.3800 100278420.8000 116200262.2000 141968307.5000 71013415.5700 127208750.7000 160922440.9000 132506386.4000
CL(78:12)-H CL 78:12 246665.1465 295682.9171 290607.1592 281192.9878 237576.8724 197980.1772 363696.0973 244729.5020 293295.3444 349268.5769
CL(78:13)-2H CL 78:13 33412487.3100 39255421.9300 41433763.8900 39654532.9100 34595968.7500 79732640.6900 57683589.4700 55435982.6800 77596793.8800 59360106.2300
CL(78:13)-H CL 78:13 443861.4191 658987.6759 349649.7998 330866.3125 321584.6618 450795.8990 828474.1242 460330.3211 455019.1430 337233.8345
CL(78:1)-H CL 78:1 1631797.1910 1251973.0920 586600.7882 2844861.7790 1736584.1250 1571768.6550 1282504.1590 1108013.2220 909657.6484 887567.6115
CL(78:2)-2H CL 78:2 161243930.9000 159220932.9000 162067907.5000 158025022.7000 152404063.6000 167556879.5000 136181619.9000 132883274.9000 153363351.5000 138440936.2000
CL(78:2)-H CL 78:2 3365384.3830 3218191.5510 3463361.2750 3100479.8700 3036001.7560 5064127.3490 4244839.9190 3705442.8430 4914545.4730 3939704.5560
CL(78:3)-2H CL 78:3 2709799.3870 1085884.2400 1258471.2210 3152421.7280 6461915.3650 1751741.9210 731664.2256 1780858.9540 822596.3719 1234086.0330
CL(78:4)-2H CL 78:4 4110590.9180 4533345.8450 4128959.3040 4291048.3110 4047389.6400 5408641.3100 4009293.1670 3544413.9650 4767963.8010 3692070.1490
CL(78:5)-H CL 78:5 6237696.2120 6378840.5430 6734916.4160 6457392.3810 5439421.9960 9606271.7510 7326224.5300 8747262.8830 9871693.5270 7729803.8610
CL(78:8)-2H CL 78:8 647222.7502 711495.5453 930636.9627 631754.2458 865659.8375 850375.0740 951213.2705 697620.5878 594824.4387 771541.2866
CL(79:11)-2H CL 79:11 4226351.1900 3149343.7490 4543436.1910 3295524.3770 4271457.2320 8579351.8320 4341783.8940 5991249.5100 5279772.7100 4200706.4830
CL(79:4)-2H CL 79:4 125719033.5000 120257097.7000 124855800.2000 120940376.1000 117522584.7000 173297104.5000 140093210.4000 134303736 154207633.3000 132906124.2000
CL(79:6)-2H CL 79:6 41107321.9100 38124838.2200 42378350 41581793.9300 38858767.8200 61248929.4800 54255561.0300 46659991 54154357.0200 55206945.2700
CL(81:11)-2H CL 81:11 475721.1864 603121.8948 540269.7320 854761.8097 466183.4501 664196.4589 918269.9189 909074.0838 407294.4697 975028.5249
CL(81:2)-H CL 81:2 2466903.1360 2516277.9430 2856090.3220 2551615.0180 3485651.0980 3229370.8890 3128295.6670 2197488.6780 2786525.3520 1913831.0700
CL(81:3)-2H CL 81:3 263987.2726 292307.8762 73114.2849 82212.8133 153895.5495 809585.5353 50369.0748 195755.8450 97524.3076 55896.5429
CL(82:10)-2H CL 82:10 2430726.7800 2964088.2740 2671063.3160 2613754.0080 2538558.2710 3838815.9150 3416962.5160 2798856.5000 3191710.9900 3323160.8950
CL(82:2)-2H CL 82:2 956115.6841 1793832.5760 1584729.2950 1930661.9420 950402.3680 846231.8702 1258020.1200 460860.6624 1086040.8200 424856.6230
CL(82:4)-2H CL 82:4 7928920.3530 4565367.3350 4824623.8450 5005528.7280 6927878.4390 9223741.1520 3178310.8320 3504520.1980 4394061.6600 3311673.0200
CL(82:7)-2H CL 82:7 2557757.6900 1975307.3620 1815634.4330 1724070.7270 1623576.2370 3332188.9120 1668398.9990 2437215.6170 1818148.5920 1597664.0290
CL(82:8)-2H CL 82:8 4676849.1490 4732706.0550 4754857.6860 4526022.9200 4331007.8470 5537754.4760 5012987.7590 4915443.5400 5336122.8450 4810186.8610
CL(82:9)-2H CL 82:9 629515.5115 426352.3895 478820.5549 330798.5481 396803.6293 1247757.1720 549963.1127 639370.7367 977211.9586 803051.8687
CL(84:4)-H CL 84:4 1602255.8500 3494829.7650 3015659.1890 1703801.4460 1813909.8690 1109732.7860 834848.8756 544951.2185 583971.2680 1249590.0040
CL(86:9)-2H CL 86:9 6938448.7320 7463921.5720 7964072.6120 7473495.9560 6567209.6130 9567102.1100 7550287.3550 7413807.2500 8511387.2550 7163665.0740
CL(87:15)-2H CL 87:15* 7157014.5910 9473369.0400 7592802.1360 2392041.8390 6498263.3210 15165974.3600 9602823.1960 12423549.4400 12468720.0900 14126949.0900
CL(87:17)-2H CL 87:17 32680220.4500 37407130.4000 33503933.9800 35423212.2000 34976891.8000 69955754.8400 46512754.8000 48746656.4200 43520958.8100 60859692.0800
CL(87:18)-2H CL 87:18* 9988353.8380 6965070.1140 8017295.4350 7786984.0370 10853160.7400 8899970.1060 8814020.6460 10840575.1500 9060029.5680 9134640.7560
CL(87:19)-2H CL 87:19* 4926310.4650 4906451.0840 5179344.4600 4585032.0330 4187316.2410 12758124.8400 8871881.9230 8202810.0680 11763310.3700 9060489.3620
CL(89:3)-2H CL 89:3* 4279540.9540 6877199.3070 7208338.6380 3684277.1100 8054144.2690 6512423.1140 7796532.0200 8799031.1110 7868355.5750 9233125.0710
CL(90:2)-2H CL 90:2* 270583893.6000 267184384.6000 265683814.3000 256590586 255857615.5000 326947233.6000 313249327.2000 290957955.9000 378068177 315027016
CL(90:4)-2H CL 90:4* 8075241.7400 6904292.7650 8075203.1480 6121997.8490 6940616.6590 11612462.2500 8820124.8270 8297905.1120 12868352.1700 8547558.9580
Clavulanic acid Clavulanate 1896.7254 5193.9126 3173.2070 5825.1186 4991.5696 2996.3774 1936.0818 2152.4224 2903.8226 2564.6106
Corilagin Corilagin 22020.3599 20449.1339 19163.9623 12098.6521 16456.9886 7162.0221 5542.7546 4229.7955 4505.1227 4382.6675
Cyanuric acid Cyanuric acid 7758.9379 12214.3694 10320.2208 13824.6669 17675.4226 14981.3297 12556.1251 15347.0721 14671.6376 10637.4232
Cyclic adenosine diphosphate ribose Cyclic ADP-ribose 1293856.9060 1437923.0010 1352278.4020 1274721.0730 1460518.5580 1101607.6200 1491757.5280 1645554.9820 1734140.3860 1743979.0520
Cyclohexanesulfamic acid Cyclamic acid 4543.7895 3585.0028 16202.5469 2782.9676 2807.7088 6973.1142 4359.3788 7360.1090 10716.3890 6508.8907
Cys-gly Cys-Gly 13397.7160 10017.3356 11618.7223 15193.2658 11755.2807 9660.3514 20911.7992 27147.0347 22459.0813 18534.8825
Cysteic acid Cysteic acid 1647.1345 1735.5331 2702.5738 2350.4047 1943.8270 2531.8693 10788.2202 2935.8099 3065.3145 3581.5565
Cytidine 3^-monophosphate 31784.6651 36925.0854 35470.4822 32728.6215 35247.4358 13343.3027 23135.4467 25807.5674 28872.8859 31643.4935
Cytidine 5^-diphosphate CDP 147560.6162 151110.5989 130136.6946 161838.1077 164536.3219 119617.9297 145598.0216 147074.4077 179397.7478 128939.9033
Cytidine 5^-diphosphocholine (CDP-choline) Cytidine 5'-diphosphocholine 10708.6932 11859.6084 10174.9896 15386.4429 5081.1911 18616.6247 20023.7638 18118.8147 12436.5387 10146.2932
Cytidine monophosphate n-acetylneuraminic acid 719510.0454 772529.1612 683249.8373 663768.0805 777450.9816 685528.3911 633588.0746 759328.8254 836323.5328 887125.1013
Cytisine 6223.8624 6994.9921 4926.3526 4828.0778 5589.5860 6364.8251 9951.3527 8219.4619 10978.2088 9469.2249
D-2-phosphoglyceric acid 2-Phosphoglyceric acid 12455.8947 4005.8237 5904.5600 7833.8854 25371.3212 1287.0648 12055.1941 7579.6877 7036.6759 6504.7165
Daphnoretin Daphnoretin 138609.8120 76909.6039 125471.5348 154848.9738 104457.3114 28893.0112 66503.1373 73569.3967 36461.3368 51863.8133
D-arabinonic acid Arabinonic acid 144080.5585 144083.8756 137610.7630 161598.4548 271528.5991 150239.2445 274343.7704 220695.6238 235459.7423 249399.8051
D-arabinose Arabinose 27828.7228 24200.6953 26991.7953 19680.9582 21700.4248 10801.8347 19426.9344 19931.7233 20516.7992 21082.8148
Daunorubicin Daunorubicin 3378.7941 8156.5480 7066.6541 7432.0286 8069.0160 592.1724 1253.2621 487.1577 2861.6026 2644.4311
Dauricine Dauricine 10723.1563 10486.0058 8308.2105 9157.8364 9536.6891 8341.5019 9679.5117 12168.9338 8865.0307 11991.9149
Deoxythymidine 5^-phosphate (dTMP) dTMP 2019.4496 2529.5907 2719.1350 3869.7989 3134.0342 4616.3894 7674.8932 5666.6938 5734.8793 7061.6875
D-erythrose 4-phosphate Erythrose 4-phosphate 19191.3872 19668.1348 13378.2248 25433.9768 10214.9150 35076.5280 75923.1683 56163.4983 60526.0030 30164.1054
Desferrioxamine d2 5386.6662 4311.4859 2785.3365 3460.1563 4705.0537 5258.4465 4771.8475 4893.2213 8947.0328 3015.1912
Dfplnnh 4418.7701 4423.7650 3435.4529 2319.5437 3065.9033 937.2082 9149.2073 8544.7543 6197.9061 6023.1730
D-fructose Fructose 75728.4693 103685.1751 118515.1850 79066.9515 91897.0570 23622.7390 53297.7404 48096.5196 58648.6165 70278.4815
D-fructose 6-phosphate Fructose 6-phosphate 21851.4895 25414.8507 22855.6125 25288.3529 28344.4454 22415.8712 31683.1281 28840.5010 32359.4096 37441.8505
D-glucosamine 1-phosphate Glucosamine 1-phosphate 67924.3793 74043.7514 62047.0840 49597.4203 61503.5126 98776.3240 113275.7213 109387.5083 117533.7375 137417.7216
D-glucosaminic acid Glucosaminic acid 12816.1905 10232.0121 9277.6582 13614.8494 8989.3487 2801.0802 7630.0424 7736.1883 7865.1478 5906.9348
D-Glucuronate Glucuronic acid 31709.7684 30409.4489 30562.0120 31192.4625 30624.6190 29094.2097 30680.0022 27465.6633 30259.8310 25646.2295
Diadenosine pentaphosphate Diadenosine pentaphosphate 10874.6121 9891.4788 5196.4243 7188.2477 8191.5920 4585.0848 3227.2338 6794.4365 5384.9076 9402.0624
Diadenosine tetraphosphate Diadenosine tetraphosphate 26041.9445 23714.2211 27188.2990 17599.8198 15041.4364 21415.5982 17048.1081 21513.9043 14382.7239 18757.6029
Diflufenzopyr 42144.7875 40516.2277 33872.8060 32671.6327 39090.2282 42547.8909 57330.1979 49073.1236 62843.6674 73368.5241
Dihydroxyacetone phosphate Dihydroxyacetone phosphate 25300.8392 24062.0687 20894.2419 22061.5331 20116.3452 5024.3360 8764.0123 3971.3596 10926.5240 7525.3625
DL-3-Phenyllactic acid Phenyllactic acid 273080.9830 223641.2552 245413.6598 208787.9556 240617.1974 242760.8315 293391.8780 271805.7981 256403.3203 350551.2241
Dl-lactate 7727682.5620 8242259.4560 7733739.4780 7003083.0410 7169195.8600 2204674.2910 3473928.9550 2638486.1080 3350537.4640 3113957.6670
Dl-malic acid Malic acid 3808.8177 3663.0429 3054.3795 3552.6647 3648.3140 2592.6251 2928.4381 6207.9049 1631.5449 3373.5770
DL-threonine DL-Threonine 6580616.1640 6612023.1050 5773463.2300 6294598.5600 6172651.0100 5410027.9930 7281265.6440 6823527.7390 7443705.7970 7555243.0500
DL-tryptophan Tryptophan 453201.5967 686104.0572 927527.7848 437699.0384 276472.2492 1519716.3720 1724073.1900 957707.7448 1037834.2280 975979.8255
D-lyxose Lyxose 60911.1802 62603.8906 55537.2236 55859.6449 53539.4255 55713.5752 61966.0713 71503.0392 75475.0516 71844.0098
D-mannitol Mannitol 6724.2877 6486.4772 5730.0669 6200.6326 4401.9535 4562.6152 4421.4677 4235.6562 4926.6670 4857.7274
D-Mannose Mannose 566380.4030 579609.3924 536475.2492 556875.4432 533208.6034 594245.7021 781240.6154 758530.7984 852442.8437 857805.2868
D-Mannose 1-phosphate Mannose 1-phosphate 53022.4313 64680.2459 65503.7363 69234.5434 49390.3618 128863.8967 100403.0040 71499.5060 97264.3404 70190.9475
D-mannose 6-phosphate Mannose 6-phosphate 281036.6309 309182.1470 261357.1175 335851.5625 299068.8219 231219.4910 349199.7156 301786.5150 350098.6688 309810.6724
D-myo-inositol-1_3-diphosphate 4643.3895 4773.7631 5953.4005 5884.8261 4882.7950 6691.2305 4969.2186 5440.6213 2851.9198 5263.4120
D-myo-inositol-1_4_5-triphosphate 11406.1845 11914.8897 11912.5507 11059.3045 9108.4403 7736.7686 5632.7371 5070.5119 4847.2380 4870.8696
D-myo-inositol-1_4-diphosphate 215639.6987 223360.2007 171167.1108 200894.4423 165924.2094 58754.0756 99969.4102 66467.1540 95865.6426 76691.1447
D-Quinovose Quinovose 36177.4046 33905.6090 33445.9324 46867.8869 38542.5493 22341.4392 38060.8486 41374.2420 41367.6799 40746.0553
D-Ribose 1_5-bisphosphate Ribose 1,5-bisphosphate 2221.6359 1268.6277 1550.9901 3197.3834 2914.2144 1938.0680 1095.9511 2702.7093 3462.6208 3388.4409
D-ribose 5-phosphate Ribose 5-phosphate 132594.6763 136877.1201 126422.3375 161039.8158 138046.1567 98852.1930 110421.1984 171715.4008 87818.6408 95279.4103
D-ribulose 1_5-bisphosphate 1299254.6950 1301586.3160 1432657.6530 1098982.7900 942003.5415 824385.2030 1193671.0450 738229.0416 914252.2171 749068.3090
D-Ribulose 5-phosphate Ribulose 5-phosphate 13773.5725 18611.3492 91317.9114 53051.4787 16742.4099 54690.4533 116772.2060 47038.6793 26303.1759 33673.0202
D-Threitol Threitol 14922.4166 10795.3666 6281.9599 28361.3120 21128.8520 3141.1907 1414.9189 13754.3089 13721.9272 5939.5284
Eplerenone hydroxy acid 76417.9846 117749.8431 60505.1761 115483.4619 85046.5206 138904.8487 123244.7245 62310.6692 75465.6536 52767.4614
Ergosterol (Provitamin D2) 2551.5693 2603.9686 2365.6115 2267.8981 2485.8284 2825.9179 2992.5125 2875.4933 3567.8076 2820.4013
Eriocitrin 1049.8686 1310.2226 1258.0459 966.9610 957.3091 1235.9028 1477.1079 987.0092 1127.7473 1249.9029
Esculetin 62904.3109 66997.9601 54590.8062 47890.3163 45554.8412 56834.1198 42363.6085 44851.0399 44954.0907 46353.2854
Ethanone_ 1-[5-ethyl-2-hydroxy-4-[[6-methyl-6-(2h-tetrazol-5-yl)heptyl]oxy]phenyl]- 4290.8338 9306.2992 9159.1475 7679.9475 7317.0430 10854.5639 15726.4583 10549.7236 14293.8434 10807.6609
Ethofumesate-2-hydroxy 5233.2618 5781.9231 6204.7234 6225.0328 7188.0714 4706.3470 6687.4449 6485.0776 6939.9685 6758.6946
Ethyl 8-fluoro-4-hydroxyquinoline-3-carboxylate 289173.5726 105052.0312 40194.7860 104308.5400 54600.2416 22871.5126 43451.8998 58044.9526 49503.8334 47230.7181
Ethylenediaminetetraacetic acid Edetic acid 3798.3235 3665.8833 3865.3838 2358.1052 4853.6906 5512.3813 19176.5851 9386.2947 8986.1213 4693.5450
Ethylmalonic acid Ethylmalonic acid 3474.3420 4356.3957 2889.6232 3804.8922 5558.6416 7299.8963 9130.5457 4629.9816 3796.7441 4541.1404
FA(18:1)-H Octadecenoic acid 6896679.7290 15440641.5900 6645604.4690 6988912.7000 7927161.7840 7772566.5000 9286285.8020 9045209.6860 8349824.0640 8757373.3320
FA(20:4)-H Arachidonic acid 4610618.6650 7854110.1600 3959922.9960 4406727.6950 2320436.4850 5766122.8090 3011425.6910 2680983.4280 3906697.9340 2905338.8580
FA(22:6)-H DHA 2933804.4660 3228440.2780 2869113.7170 2800262.8420 2895853.0560 4407991.1510 3446220.9300 3440618.4330 4377378.4200 3761796.6730
Folate Folic acid 21086.3114 23873.6825 20567.8222 22618.6099 30749.5678 6242.5728 4463.7962 4193.8263 5398.9035 6246.7643
For-Met-Ala-Ser 20262.6562 24826.4168 19403.9418 21400.8649 20393.5544 14728.1624 28105.4869 27899.9518 36027.4228 31396.1494
Fructose Fructose 636956.1770 486147.0535 240494.3784 1077117.5060 1090676.2640 325767.4951 103556.0021 337196.3774 346046.1504 415108.8473
Fructose 1_6-diphosphate Fructose 1,6-bisphosphate 38105.6772 36480.3993 32701.7801 35637.5322 40902.2349 23684.4225 23282.2137 19049.2064 23339.8645 22791.8750
Fulvestrant 9-sulfone 36011.3540 47760.4840 36697.8962 25868.4059 13826.0537 63180.9352 53653.2827 58167.6669 65370.7436 56283.4003
Fumonisin b1 751.2570 1037.2573 757.8031 720.5514 415.5751 416.8056 1115.3258 660.0943 811.1972 427.9357
Fumonisin py2 1040.1217 1357.6900 719.9082 941.8458 708.0268 1453.8318 1407.6696 1090.0709 1657.9187 862.4092
Gambogic acid Gambogic acid 3267.5456 3148.8636 2564.3060 1170.9498 1574.6874 5816.2735 10791.1038 7202.4149 2967.7775 4221.7613
.gamma.-aminobutyryl-l-histidine 5152.5549 5033.4757 4482.6656 9714.3878 6621.6421 3218.2593 2621.1923 2327.5847 3442.5160 2452.4777
Gamma-Glu-Cys gamma-Glutamylcysteine 3149.2773 4558.8626 6743.7909 5170.5418 2650.6020 2240.8156 4071.5387 2336.1449 3025.0779 2269.2891
Gangaleoidin 889142.3044 418993.0467 445555.9710 841614.7015 394775.8223 292577.1860 242115.3785 145730.8916 65573.3798 173448.1639
Ganoderic acid f 5194.8405 2996.5671 3095.0179 4176.8344 2838.9001 7073.3946 18229.2449 5904.4119 5421.6358 2727.2731
Garcinol Garcinol 3614.3230 4758.0584 2567.7963 3224.0264 4519.5652 2872.3981 4130.1247 3503.2906 2672.0659 1981.8937
GD1a(d34:1)-2H GD1a (34:1;O2)* 438877.8406 2320094.9550 2157953.8490 2811589.0560 1976096.5660 1521110.2080 2085141.2830 1753442.1010 1943681.7230 2663879.6410
GD1a(d36:1)-2H GD1a (36:1;O2)* 909201.8398 1036697.9510 1096096.8880 678805.6453 857100.3837 737901.5335 1024805.8240 892797.3232 809502.0025 1100998.2440
GD1a(d38:5)-2H GD1a 38:5;O2)* 157412.4303 264620.4785 207139.9691 187842.0703 170400.9384 807528.4355 400499.5053 659784.8144 824151.6710 794655.4149
GD1a(d42:1)-2H GD1a 42:1;O2)* 1484692.3860 5033839.3870 4881452 4460484.9890 4203273.9380 3155361.4560 3932211.6820 5104187.0520 4881179.5440 6636618.5880
GD1a(d42:2)-2H GD1a (42:2;O2)* 735974.9233 3201434.4090 3217111.9390 2496497.3550 2809905.5950 2078533.1180 3218774.3130 3447087.2840 2991589.5260 4888971.0840
GD3(d34:1)-H GD3 34:1;O2 253054.7686 1141928.4670 1194993.0740 933550.0098 932163.6872 745084.9990 904839.2011 1086318.6900 1028268.2110 1289996.5780
GD3(d36:1)+HCOO GD3 36:1;O2 1063664.6420 2305492.8820 2207458.8860 1798033.3840 2180063.9580 2608793.7420 2435882.1680 2539329.3360 2761967.9290 3439903.8770
GD3(d36:6)+HCOO GD3 36:6;O2* 481155.8952 915824.8927 827478.6795 589332.8032 647304.0659 884301.1000 755985.8839 916842.5415 902980.7610 1037947.4650
GD3(d40:1)-2H GD3 40:1;O2 848717.7924 1936604.8320 2673300.1220 1547277.8350 1155131.2800 1144622.8350 1798308.1390 882530.2871 565253.6850 1408477.7510
GD3(d41:4)-2H GD3 41:4;O2)* 2702117.4480 3512651.8520 2946715.9420 2134939.8230 2710879.1350 2503899.2070 3061912.2680 2806696.3760 2025629.5170 2435862.9070
GD3(d41:6)-2H GD3 41:6;O2)* 933062.6007 1094957.4240 940461.5670 349660.5226 827352.6772 1179256.0250 1030460.1260 754430.5629 1194248.7660 1355618.5580
GD3(d42:5)-2H GD3 42:5;O2)* 1179269.7880 1865989.0870 1536779.1550 1692564.2470 1446154.3230 1890279.4720 1614386.1210 1296745.8520 1631418.5960 671864.8993
GD3(d44:1)+HCOO GD3 44:1;O2 2719797.9100 3896260.3280 3636363.4440 2617642.7910 3539619.6120 5006064.3740 5070943.1040 5838604.2470 5447668.8100 6080727.3260
GD3(m36:1)-2H GD3 36:1;O)* 1834347.3420 1547809.8110 1199237.4720 1579111.7550 1401839.4510 1875392.3110 1744003.5940 1691091.3870 2043593.6830 2181664.3080
GD3(m40:5)-2H GD3 40:5;O)* 895360.3411 845599.2303 602393.5733 732678.8200 1070981.6400 1513537.5030 1235260.3290 967536.6680 1498119.6090 935969.2958
GD3(m47:5)-H GD3 47:5;O)* 358659.4022 135472.3647 372812.5405 126497.6260 175512.9934 305855.4331 322353.2047 577722.0488 389815.0736 422379.1350
GD3(t32:2+2O)+HCOO GD3 32:2;O3* 717059.0242 863306.7853 1062317.3280 698922.1066 791213.2273 1196807.3760 713118.4415 913860.7697 925998.8637 902035.7484
GD3(t36:1)-2H GD3 36:1;O3)* 4188424.6250 6075161.6770 4786783.9290 3264450.2930 3932588.9670 6263267.0670 7801747.5820 6122303.0970 5062604.4540 6802222.1000
GD3(t36:5)-2H GD3 36:5;O3)* 972142.5929 687464.2920 862348.0397 717983.8517 818723.8961 1398208.3070 1245022.3340 916479.2019 798409.1811 1467269.6850
GD3(t37:6)-H GD3 37:6;O3)* 5010724.8030 6776720.9490 6429933.9730 5577400.1260 6322885.0800 6533659.6300 5941275.1880 6605424.2810 6743994.2900 7067204.2160
GD3(t40:5)-2H GD3 40:5;O3)* 2313311.9510 1522089.6490 2028267.7490 1154053.6620 2166204.8550 1235671.0530 1268427.5780 1791190.7990 1326410.8620 1394273.4660
Gdp-l-fucose GDP-L-fucose 87265.1556 91244.6991 81832.2080 87969.2627 84764.0888 57492.6309 80741.9589 83686.1196 95406.6715 90678.5922
Geranyl diphosphate Geranyl diphosphate 72712.7338 60745.9244 37658.5073 61047.9036 46315.3630 45691.3093 65120.9812 67510.2958 84773.5284 69240.8468
Ginsenoside-rb2 5210.1221 4433.5971 4052.8603 4093.8794 4234.6883 6387.5908 6383.0699 5074.2791 4616.8702 6263.0286
Ginsenoside rb3 1207.4594 598.3845 871.7809 581.6052 563.8572 1069.5512 5348.5377 1249.1431 747.2793 960.6223
Ginsenoside rg3 (r-form) 5833.3914 5038.3473 4513.8311 10354.5658 9218.6084 11581.4690 14195.3677 15388.4029 10242.3783 14385.2640
Glabrolide 83815.8084 80692.5472 70936.9606 77738.2064 88266.6027 29672.7106 46952.6000 34818.9396 42743.3169 26742.7960
Glimepiride Glimepiride 8774.2646 4962.2798 7536.8987 5675.7553 8018.3315 4090.6642 3908.2109 7019.3711 7605.1186 8614.2737
Gln-Ala Gln-Ala 10642.0218 8419.9809 6442.7554 7708.6058 6650.0725 9597.9944 39718.8835 12020.5805 14349.3594 10606.8627
Gln-ser Gln-Ser 7089.4095 7493.5837 6468.5191 15406.9226 3211.7179 12210.3926 25440.9513 13415.4547 15988.0695 3902.6898
Glucose 1-phosphate Glucose 1-phosphate 7353.5500 7809.5706 3685.6044 8434.6016 6525.4085 12738.9155 16353.6301 2121.9815 4938.9537 4639.5236
Glutamic acid Glutamic acid 2413209.3240 2414012.1010 2420938.2390 2584938.5940 2256109.3440 2326922.6900 3317691.2280 2981529.8140 3419304.8150 2767631.5860
Glutamine Glutamine 80917.4750 60561.7856 53284.2347 63450.1455 78658.1556 45451.3623 63793.9211 80143.2177 82266.5411 91788.0543
Glutaric acid Glutaric acid 27438.2476 30356.4979 30196.4446 31393.0511 32896.0052 10140.7290 12506.0778 13687.3129 15858.7302 15074.7846
Glutathione disulfide Oxidized glutathione 115679.6988 25021.3831 182759.0570 111480.0637 192088.6573 118657.5061 64694.5556 119238.3726 95257.3429 52175.4246
Glutathione_ oxidized Oxidized glutathione 1170981.8390 1712274.8070 2011374.6140 861129.2687 1351658.0530 1039005.4340 340483.9910 590442.5089 364769.6037 2083074.7000
Gly-Ala Gly-Ala 6115.7213 6380.4947 6034.2745 5821.0529 5391.2595 7779.9778 10527.2489 9323.1062 12875.0056 10042.1243
Gly-Asp Gly-Asp 65741.7890 78534.3404 66645.6190 65975.6007 80949.8748 49611.8108 42893.1672 55782.9432 69900.2534 72401.3326
Glycerol Glycerol 6391.0538 6213.6923 3317.1814 7138.2910 5552.7407 3061.6022 8270.6352 15647.4052 11973.4360 9229.9922
Glycerophosphate(2) sn-Glycero-3-phosphate 258630.2060 222489.5712 182720.8842 263998.0683 205528.7226 132033.9720 297110.2754 204929.2049 198378.3136 184948.7871
Glycine Glycine 3684583.6020 3743630.6590 2572775.3950 2848075.3950 3428696.1150 2940155.0480 3307472.1560 2984449.1580 3219756.1730 3244891.4680
Glycodeoxycholic acid Glycodeoxycholic acid 48312.1854 51998.7298 42099.5811 57893.7532 60896.7433 20755.5601 13443.6515 13111.6508 14737.8402 16911.2489
GM1(d34:1)-H GM1 34:1;O2 1072857.1120 2354104.9320 2065163.3600 1739681.8250 1969798.6360 2631905.5430 2247301.3220 2472053.6140 2794398.0140 2831350.1880
GM1(d40:1)-H GM1 40:1;O2 462988.5061 135163.5326 480601.3145 126189.3244 173277.0922 306238.6994 433316.8234 576065.2493 388939.6319 421660.5409
GM1(d42:1)-H GM1 42:1;O2 2237691.3080 3070840.3920 2481120.7490 2440220.2710 2601575.4620 4021946.8600 3560939.7040 3920609.6420 9738444.1130 4028646.9100
GM1(d42:2)-H GM1 42:2;O2 695813.6721 1425044.2660 1539171.0120 3571410.5160 2115604.9580 2022075.5370 2876306.4800 3963753.5170 4211399.5820 5833958.1390
GM1(m34:2)-2H GM1 34:2;O)* 492845.5755 1028703.7860 443742.5624 408057.1722 672471.4239 1511364.5540 947360.2219 696715.7073 1665309.2360 1108124.9830
GM1(m38:0)-2H GM1 38:0;O)* 1480744.0200 1851704.4270 2005803.1860 2435396.8680 1315123.4070 1700109.6070 1285577.0060 1259482.7700 805085.6708 952998.3299
GM1(m38:2)-2H GM1 38:2;O)* 9694495.4920 11915912.4700 14968374.0200 9021887.8680 11362602.2900 15699592.8500 10039614.6500 9374231.6510 12496393.8400 11090969
GM1(t34:0)-2H GM1 34:0;O3)* 2631126.5690 3260626.0970 2903117.6720 724725.1345 2769687.9780 2010664.1760 2653513.0890 2669462.7520 2056722.3330 2428684.1520
GM2(d32:1)-H GM2 32:1;O2)* 2409273.8080 4192740.5320 4121701.7650 3841577.7600 3759701.2940 4715853.4010 2919002.0030 3498857.5000 3909280.0220 3932661.9500
GM2(d33:0)+HCOO GM2 33:0;O2* 1602041.5740 2810892.7820 2612821.9990 2107345.2630 2694997.5050 2556533.1760 1745403.3720 2355263.8200 2897860.6320 2448362.4540
GM2(d33:1)-H GM2 33:1;O2)* 1525754.6150 2563311.0180 2439703.1820 2218502.6950 2362285.2300 2683410.5630 1893528.0280 2306986.0650 2700942.3200 2554889.1630
GM2(d33:2)+HCOO GM2 33:2;O2* 3076715.7430 2665889.4390 2572104.8310 2706704.6780 2885849.1690 3691573.8400 4978509.3320 4755002.2620 4386685.7310 5054270.8140
GM2(d34:1)-H GM2 34:1;O2 90732689.6100 132824711.7000 118050933.8000 105785241.2000 117517054.8000 148354873 111696066.9000 121942449.2000 146657718.4000 136715991.2000
GM2(d34:1+O)-H GM2 34:1;O3* 6412817.0200 9899826.2480 9776314.2180 8196947.8190 9069626.8620 13174504.0300 10845752.8500 12809405.7000 14188507.1100 13997554.2900
GM2(d34:2)-H GM2 34:2;O2)* 2412737.5960 3521310.7790 3335198.5300 2971077.9610 3026128.2030 3848884.0330 2820233.3310 3777909.5050 3635182.3040 3463203.7070
GM2(d34:4)+HCOO GM2 34:4;O2* 478288.3128 554214.0272 641130.3415 554477.7889 786761.9151 706181.4163 261791.6636 604510.1841 560639.9609 463936.7025
GM2(d35:1)-H GM2 35:1;O2)* 1111981.3550 1577439.5920 1638235.9520 1175408.6640 1561960.3130 1308231.9450 1307534.5450 1567961.6760 1681961.8110 1362783.7590
GM2(d36:1)-H GM2 36:1;O2 11135734.1400 15662800.3400 13932828.6000 11798361.2400 13713759.7400 11685946.4400 9460916.5410 11130785.9000 12283884.9800 11627429.0500
GM2(d36:2)-H GM2 36:2;O2)* 1670746.5340 2412495.0360 2622412.7410 2306613.5950 2217486.7570 1532773.7560 1356336.5740 1723985.1140 1954859.4190 1848069.1140
GM2(d36:5)+HCOO GM2 36:5;O2* 316684.1909 553560.6008 627040.7837 435946.9269 489670.4970 582823.3943 443506.4087 567972.0751 756482.3785 540652.9912
GM2(d37:4+2O)-H GM2 37:4;O4* 16050594.0400 21571812.4500 19947818.9500 19105976.7100 19503310.8000 22328066.4300 18671432.2900 20552288.8000 22879514.3400 23311291.1200
GM2(d38:1)-H GM2 38:1;O2 1968469.7100 2634314.5220 2097338.5750 1882650.9240 1734256.0910 1156502.1980 950875.7439 1737868.9210 2054308.7260 1150031.6560
GM2(d39:1)+HCOO GM2 39:1;O2* 419445.8601 394660.1015 434623.6454 449885.5600 413132.3555 483973.3252 448067.8442 481070.5251 503311.3021 487670.7946
GM2(d39:4+2O)-H GM2 39:4;O4* 940306.8483 1325484.7630 1333431.6230 1192200.1620 1361415.7900 459437.4462 877898.9929 1046058.1240 713924.8933 851169.8728
GM2(d40:0)-H GM2 40:0;O2)* 2331623.2770 2639873.9030 2339344.7100 2023209.6510 2179382.3630 2151491.1100 1544267.5670 2705152.4330 2168086.4960 2364885.3540
GM2(d40:1)-H GM2 40:1;O2 23838353.5300 22620518.3600 22631073.9600 18946405.2200 22189138.1700 21856842.1000 20418278.6800 23769610.2800 23570006.7700 22571697.1600
GM2(d40:2)-H GM2 40:2;O2)* 3065405.3720 2184921.2970 3182439.5530 2145587.0610 2575873.5380 2263110.1390 1992886.8330 2344285.9840 3009151.2430 4466098.4110
GM2(d41:1)-H GM2 41:1;O2)* 8910192.6550 8222277.1100 8366762.7090 6663019.1190 7579442.1370 9891987.0210 8683277.3290 10118662.8600 10662813.1800 9713166.0310
GM2(d41:2)+HCOO GM2 41:2;O2* 526109.1581 556003.2379 509938.9603 501220.2990 569080.4163 623501.6991 664278.1043 523801.6490 528502.6157 640592.3541
GM2(d41:3)+HCOO GM2 41:3;O2* 149137.3212 241441.5108 92453.2701 90364.7711 219077.1109 257626.3426 153820.5722 270267.0325 138429.1785 67422.6822
GM2(d42:1)-H GM2 42:1;O2 4314534.2060 4096574.9350 4239688.8000 4318410.2500 4696718.5420 4985722.7010 3672017.4770 5218364.2990 4752436.9290 4935555.2210
GM2(d42:2)-H GM2 42:2;O2 61061786.7400 62579841.2400 63351400.7100 56498898.7000 57408435.4400 72745667.5500 63476275.1900 72086607.1100 70570602.1300 79290226.4700
GM2(d42:3)-H GM2 42:3;O2)* 4995965.0900 5093169.2100 4600718.7410 4532079.8350 4541782.1030 4999754.3320 5610702.3160 6222035.8150 6414083.2200 5805861.4120
GM2(d43:1)-H GM2 43:1;O2)* 2670536.2400 2655687.9320 2493429.4030 2040589.1240 2284977.5850 3869201.4210 3481006.3030 3858963.4890 3463333.8810 3473643.1530
GM2(d44:1)-H GM2 44:1;O2 9024153.3290 8894381.7780 7730617.5300 6350340.7290 7894066.9720 8573013.3810 7609480.9900 8689047.1880 8196237.1710 8122673.7090
GM2(d44:2)-H GM2 44:2;O2 5457712.3670 5507580.4640 5683459.2320 4862831.5530 5737317.8520 5822444.5460 5236046.6890 5385072.1440 6838482.6880 6554442.2480
GM2(d44:4)+HCOO GM2 44:4;O2* 5196943.2640 4663527.4340 4484944.5350 4278618.0690 5120159.5890 4877395.8130 5708857.6490 6918853.9550 5223564.5620 6647835.8470
GM2(m33:0)+HCOO GM2 33:0;O* 566766.9515 1018947.0140 950973.1912 742770.9619 771125.5064 778819.9189 623092.9284 792615.9741 940159.9104 732228.4720
GM2(m33:1)+HCOO GM2 33:1;O* 6447431.8240 9878522.6270 9795916.7770 8216325.6720 9147466.5720 13251308.1300 10868287.9000 12861802.4100 14271149.3400 14091040.5000
GM2(m33:2)+HCOO GM2 33:2;O* 405666.4730 979261.4410 727360.2402 828522.0852 786850.9298 847648.7939 654209.7019 949246.4171 896820.1393 777354.9440
GM2(m34:0+O)-H GM2 34:0;O2* 5550984.6880 9059226.6890 7378062.5110 6779521.2800 7362073.8900 6102171.6010 6459219.7840 6727268.0030 6720051.3550 7571382.7760
GM2(m42:0+O)-H GM2 42:0;O2* 5031869.0920 4984886.3330 4372103.3270 3630813.8740 5312360.7960 5063867.4740 3918044.0990 7409144.7980 4812929.0900 5355830.1870
GM2(t34:0)-H GM2 34:0;O3)* 577994.6361 1078476.8730 927068.0869 835312.8926 769894.3996 798648.4068 664041.3580 825586.4507 1015971.3700 839524.7462
GM2(t35:3+2O)-H 949784.4550 1144599.3030 1206112.4580 967666.1663 1077022.8180 1402699.5710 1229078.1970 1224850.0930 1379923.4610 1437695.9940
GM2(t36:4)+HCOO GM2 36:4;O3* 1412956.9290 1856824.6390 2007413.5180 1623422.4210 1703801.1760 2759976.5330 2093023.8630 2519842.6490 2488689.0370 2503226.5100
GM2(t42:0)-H GM2 42:0;O3)* 839485.3257 1010871.0400 876386.9709 565249.5778 866889.1242 576664.4871 1494470.8030 1074968.4910 919873.3813 1306546.4720
GM3(d31:1)-2H GM3 31:1;O2 1362520.2840 972683.7651 1293368.6470 965265.4243 1028744.4270 1439451.7930 1269880.2870 1485529.8180 1690890.5780 1133353.9140
GM3(d32:1)-H GM3 32:1;O2* 642875.5173 834559.1164 704887.4178 581584.9996 678435.6205 1566313.6710 965437.7649 1251066.9230 1439036.6850 1236378.7740
GM3(d33:1)-H GM3 33:1;O2* 408814.6894 657370.1436 610178.6235 501038.3891 509357.7007 990581.6864 848785.5215 892253.2723 1061192.2110 1028017.2290
GM3(d34:1)-H GM3 34:1;O2 24001998.9500 28249902.5200 27961921.2200 23653583.9000 25914127.5900 55808497.3100 45861914.6600 51399334.6300 55230777.6400 54695287.8400
GM3(d34:2)-H GM3 34:2;O2* 385352.7150 562246.9400 504234.3562 545525.6615 478420.6075 1160630.1590 954665.4718 1127844.0220 1099736.5180 1071915.3340
GM3(d35:1)-H GM3 35:1;O2* 471388.4660 527101.8801 668370.6086 314770.8009 269460.3907 743173.7861 633766.3855 555011.2403 670354.6212 695588.7992
GM3(d36:1)-H GM3 36:1;O2 5075011.0890 5339767.8550 5468228.7480 4506185.8720 5127319.3410 6164960.1400 5750382.4530 6300198.8500 6216928.9510 6948972.1890
GM3(d36:2)-H GM3 36:2;O2 446666.4825 479236.2840 856423.2647 683548.7899 730790.5105 1069630.8980 702777.6467 874956.2202 748723.0267 874452.5173
GM3(d37:4+2O)-H GM3 37:4;O4* 3566714.4600 4625546.6160 4756088.6690 3633932.7810 4076493.3100 7430146.7070 7525139.5070 8068233.5640 7774685.2260 8998927.6260
GM3(d40:1)-H GM3 40:1;O2 5025892.0900 4130488.5070 4480329.0930 3323731.2400 4527360.4930 8834202.2680 8447965.9840 9713746.0180 9149947.0850 9700207.3920
GM3(d41:1)-H GM3 41:1;O2* 1282541.4100 911463.7825 682130.2139 1049538.7880 1063008.8510 3407744.5830 2675240.7100 3253990.3680 3010194.9310 2739291.1880
GM3(d42:1)-H GM3 42:1;O2 29255736.6300 27164276.1500 25810126.5300 23178866.7800 25707729.3500 63080275.3900 58359666.6400 70629692.0400 61397805.5300 61908873.5600
GM3(d42:2)-H GM3 42:2;O2 9810252.4970 10206833.3000 10048391.3300 8378045.6870 9466747.6880 22030888.3200 20075797.7600 22267494.8800 23552342.3600 23183475.3100
GM3(d43:1)-H GM3 43:1;O2* 431736.7630 734349.3650 445037.1484 268617.6240 264798.6421 1405009.7730 1304265.1830 1494489.2140 1167369.1420 1403603.1760
GM3(d44:1)-H GM3 44:1;O2 1441332.0030 1716432.4400 1331291.5480 1107847.7640 1632357.6700 3001523.5850 2998022.8200 4569798.0530 3266924.0580 3345377.0060
GM3(d44:2)-H GM3 44:2;O2 984110.4187 885689.8819 1037122.9570 678738.1281 697571.6528 1703826.4080 2250087.7020 2142650.2550 2368152.9570 2107627.0280
GM3(d44:4)+HCOO GM3 44:4;O2* 1776237.0640 1674700.6920 1431805.5080 1545605.5410 1815635.0190 3734868.4850 4696287.7900 5573294.0450 3703197.2020 5178869.5960
GM3(m33:0)+HCOO GM3 33:0;O* 170517.9474 122273.7562 309178.7689 128866.2678 245886.3286 586558.1109 368064.1702 416849.7558 609618.6042 427457.4173
GM3(m33:1)+HCOO GM3 33:1;O* 2076691.6730 2104635.3090 2262218.3420 1997350.6800 2050064.2490 5377967.1270 4015234.9550 5032863.3940 4810357.4720 4803973.6490
GM3(m34:0+O)-H GM3 34:0;O2 1420537.7480 1853475.8710 1708225.3820 2135624.4540 1497890.9300 2178079.6290 2766447.9640 2959261.2770 2748475.7420 2562780.1620
GM3(m42:0)-2H GM3 42:0;O* 1149135.4860 1163881.5230 1129219.6700 1034958.6080 1081876.8150 1364262.6970 833116.9735 994036.3228 1321063.6700 1077031.7200
GM3(m42:0+O)-H GM3 42:0;O2* 1319502.3840 1176357.3630 1010911.5970 932541.0617 1129579.2640 2303951.9080 2058151.3560 3669435.8660 1944779.0740 2107074.1910
GM3(m42:3)+HCOO GM3 42:3;O* 15102881.3300 12632981.7600 12773345.3100 12682308.9400 13096017.1500 12060299.6100 10497507.0700 10221301.1800 10228046.9900 10500289.4100
GM3(m42:4)+HCOO GM3 42:4;O* 5011589.2230 5081123.0970 4874899.0280 4777998.9220 4898725.7800 4827255.6190 5606476.8720 3983404.5990 4660672.7770 4657275.5870
GM3(t36:3)-2H GM3 36:3;O3* 8300133.6830 1124332.9940 1226264.0690 550267.8267 1162065.7060 3803481.3270 3448358.1990 1740099.9450 3212912.5630 1579940.3270
GM3(t36:4)+HCOO GM3 36:4;O3* 311679.3895 425589.7571 426446.9772 475337.1088 359285.6610 934838.5323 653585.2132 819909.0339 924239.6251 731589.6940
GM3(t36:5)-2H GM3 36:5;O3* 724438.1389 35592.5122 193203.7011 210481.5858 238882.3064 337211.4780 111994.3398 46729.9409 204730.6597 228225.7627
GM3(t43:4)-H GM3 43:4;O3* 10688803.8900 519591.8686 587414.5783 622104.4937 8508332.0390 12853125.3100 5490412.1890 5947811 691571.6916 5262913.1300
GT3(d44:1)-2H GT3 44:1;O2 2834250.1750 5711021.1360 1930971.5530 6154618.8440 3515587.1590 2424532.9700 3627514.1650 3548710.1130 4486423.9170 4405162.4710
GT3(m41:5)-2H 428036.0651 2254253.8870 2135602.4200 2606861.9060 2096584.3190 1648582.7980 1993925.8780 1819354.4730 1995871.0140 2666175.3600
GT3(m43:5)-2H 5469990.4050 12228245.4600 7869851.1050 14472969.0600 6119635.9350 6072293.7580 10047439.7000 5387043.1620 5561445.1820 855744.5084
GT3(t41:1)-2H 6375312.1060 6146522.5960 6391776.7630 6163574.0680 6533102.6390 5866603.8670 6049433.5660 6559438.1170 5851954.9830 5954549.9780
Guanidinopropionic acid 4758.6651 739.8041 5246.6754 736.6235 427.9852 1075.2564 1834.9886 1563.1596 1665.1087 6945.3240
Guanosine 5^-diphosphate GDP 26252.1621 29954.7402 23563.9276 36603.7758 33659.1537 17208.3816 24519.3784 28467.9878 36330.8864 21407.6663
Guanosine 5^-diphospho-.beta.-l-fucose 17622.0154 22172.0132 13682.0823 16214.4956 13136.9604 35024.3577 49154.9281 21750.4919 29093.4498 13570.2357
Guanosine diphosphate mannose GDP-mannose 256270.9149 295569.5428 281365.3543 213206.7529 254144.1550 438345.4189 340192.7181 385808.2732 413238.2028 410437.1106
Hederacoside c 3238.9027 4572.6641 5035.7243 4399.5648 3228.4680 5746.9474 4305.5414 3433.2221 3295.7719 4118.5843
Hederagenin base + o-dhex-hex-hex 2407.0981 4150.4643 3227.0131 1916.7765 3901.6965 3062.0217 4049.7519 2668.9165 5931.3308 3394.9668
Hematoporphyrin Hematoporphyrin 4555.3386 4441.3792 3798.1207 4669.0715 3757.6307 2986.6593 5142.1680 1848.6082 3387.0926 4370.6665
Hesperidin Hesperidin 1786.6174 2867.4662 1595.4147 1896.6841 1842.7690 2149.2761 31536.2617 2540.2244 2797.8940 959.4818
Hex1Cer(d12:0_20:4)+HCOO HexCer 12:0;O2/20:4* 3186907.7600 4265966.0150 3290012.5890 3850309.8910 4592180.4710 10009950.1800 5467834.0830 4337451.8180 5419114.0080 4372670.2930
Hex1Cer(d13:0_20:4)+HCOO HexCer 13:0;O2/20:4* 2979748.4060 2817496.7410 3261679.3550 2985823.6340 2603845.9580 5406538.5700 4330624.7630 4414076.8030 5674307.3680 4583269.8650
Hex1Cer(d14:0_20:4)+HCOO HexCer 14:0;O2/20:4 6149359.4940 3118760.3540 4330583.2660 3357533.9470 5125066.7480 8690324.5010 3781103.4880 4395307.7890 7128486.5600 3837055.8540
Hex1Cer(d14:0_20:5)+HCOO HexCer 14:0;O2/20:5 328110.1851 552848.5399 303136.7658 447737.3802 236091.6858 827737.2696 574905.8148 362690.4429 721695.9708 402571.4457
Hex1Cer(d14:0_22:6)+HCOO HexCer 14:0;O2/22:6 750608.9331 1657951.3880 1731742.0750 1490835.6370 533670.5508 1695302.6480 1430253.5250 2471816.0970 2344805.8220 1825371.6200
Hex1Cer(d15:0_20:4)+HCOO HexCer 15:0;O2/20:4 12118830.8200 11737874.2500 11745431.2800 11695032.7400 11672145.2300 16421109.7300 12351537.1500 11134085.7200 13886378.1200 12311394.9700
Hex1Cer(d15:1_18:1)+HCOO HexCer 15:1;O2/18:1 79391571.5900 80155006.5800 79954117.7700 74855523.6800 73324220.9400 138359107 121662198 106334731.4000 118712026.6000 112714559.6000
Hex1Cer(d15:1_22:5)+HCOO HexCer 15:1;O2/22:5 2179778757 2311283587 2297027035 2189289946 2162370651 3066780123 2578154718 2399954509 2871293111 2360869863
Hex1Cer(d16:0_16:0)+HCOO HexCer 16:0;O2/16:0 67394105.3500 3920503.1260 3461346.0390 60701475.7000 2759404.0330 69961569.5200 63540116.4700 3032585.1550 3985020.6110 66560396.3700
Hex1Cer(d16:0_16:1)-H HexCer 16:0;O2/16:1 3460440.1030 3574947.4020 3454121.6610 3529799.8550 3497905.8690 4380959.3940 3440373.5800 3147439.3690 4273922.0450 2963588.2030
Hex1Cer(d16:0_18:1)-H HexCer 16:0;O2/18:1 195083136.4000 209061390.3000 198341218.2000 199198354.5000 194466564.4000 292412603.3000 242564199.9000 221813257.2000 268777982.2000 230290110.1000
Hex1Cer(d16:0_18:1)+HCOO HexCer 16:0;O2/18:1 629926607 639598682.2000 675139227.6000 640312200.7000 614464081.2000 806878312.9000 692230202.1000 709872403.4000 801841218.4000 709187237.2000
Hex1Cer(d16:0_20:4)+HCOO HexCer 16:0;O2/20:4 25899647.9800 24921199.0800 27600093.2900 23525095.6200 24504980.2900 41332252.6500 33215903.1600 29704045.3200 39362728.1700 32142960.9000
Hex1Cer(d16:0_22:4)+HCOO HexCer 16:0;O2/22:4 14239658.3300 11590543.9900 12354434.9300 11796132.6600 10203871.2100 17076437.6500 3121477.4670 11846747.9300 17010613.8800 13352760
Hex1Cer(d16:0_22:5)+HCOO HexCer 16:0;O2/22:5 113575169.3000 106625994.7000 116116212.8000 110660016.1000 104486210.4000 157085193.4000 124744596.8000 125798801.6000 144423333.9000 127812129.5000
Hex1Cer(d16:0_22:6)+HCOO HexCer 16:0;O2/22:6 4259269.2610 10779577.6800 4631248.5790 10640449.6600 10804692.1500 8505611.9430 13230728.7700 13613941.5400 19402311.6200 14931326.6700
Hex1Cer(d16:0_26:1)+HCOO HexCer 16:0;O2/26:1 14234831.8200 728095.9667 7723765.4260 480159.8448 1846963.5510 18735288.8800 5756446.6970 5844964.1240 14973002.8800 9200965.4090
Hex1Cer(d16:1_20:4)+HCOO HexCer 16:1;O2/20:4 20312161.3300 25364087.9600 30085822.3400 24931947.1700 22267520.6800 27965453.7200 36247797.2600 29064492.7000 40233078.8900 33559705.8300
Hex1Cer(d16:1_20:5)+HCOO HexCer 16:1;O2/20:5 3487855.4570 2225846.4180 3013296.0150 2815009.0120 2318831.7240 1733457.1160 1320781.7500 2025758.5240 793538.8436 6323497.2410
Hex1Cer(d17:0_20:4)+HCOO HexCer 17:0;O2/20:4 11146290.5900 12952394.1200 10759650.7400 11681060.1700 10301407.1500 12295978.5200 10828475.0900 9900044.6380 11890036.6300 10586669.3100
Hex1Cer(d17:1_16:0)-H HexCer 17:1;O2/16:0 13953709.0400 14725226.2400 14163041.2000 13948116.4400 13484263.1000 19387025.2700 17355569.5300 16572182.1100 20107627.6200 16396071.6400
Hex1Cer(d18:0_18:1)-H HexCer 18:0;O2/18:1 22595292.0200 27312344.1400 23422614.8400 21786414.5300 20794872.0900 26722067.5400 20140617.8800 19059120.1800 21739504.8900 18934528.7100
Hex1Cer(d18:0_22:0)-H HexCer 18:0;O2/22:0 22934686.7500 22559135.1200 21811761.8300 20346456.5600 21389825.7700 24859149.8200 19341575.8200 25341034.4300 22870387.2500 20361581.8200
Hex1Cer(d18:0_24:0)-H HexCer 18:0;O2/24:0 23962422.2600 26880973.3900 24169102.1300 23416968.8300 23686223.9200 28787856.1800 21157916.7300 29610107.1000 25896454.1700 20771037.9000
Hex1Cer(d18:1_18:1)+HCOO HexCer 18:1;O2/18:1 350244804.5000 337470575.3000 350462764.9000 339743185.9000 321321058.8000 357583459 289071117.5000 278957108.7000 326507719.2000 286253246.6000
Hex1Cer(d18:1_20:4)+HCOO HexCer 18:1;O2/20:4 11084700.4600 11531852.3100 12551299.6000 10532015.1100 10208027.9300 18206399.6300 15427165.9300 13166166.8300 16341967.9800 13270378.7800
Hex1Cer(d18:1_22:0)-H HexCer 18:1;O2/22:0 359173621.4000 362000863.9000 354428041.5000 334877110.3000 331252828.8000 502079195.6000 363593224.5000 399020379.8000 415195671.9000 371350966.8000
Hex1Cer(d18:1_22:6)+HCOO HexCer 18:1;O2/22:6 18558518.3700 13603307.5200 41106956.1800 16102735.0900 16557468.8400 29057279.7400 18390831.6100 17734224.4300 24881375.6500 18018730.3900
Hex1Cer(d18:1_23:0)-H HexCer 18:1;O2/23:0 141282221.1000 150434981.8000 142071663.3000 137022803.4000 130763551.3000 218578769.3000 170439326.7000 164541806.6000 201280868.3000 156864880.6000
Hex1Cer(d18:1_24:0)-H HexCer 18:1;O2/24:0 744087045.6000 768635217.1000 740476845 689035587.9000 693857913.4000 1142002803 900508655.5000 906869693.8000 997305663 829042234.8000
Hex1Cer(d18:1_25:0)-H HexCer 18:1;O2/25:0 17522812.2200 16744878.8300 17454862.4600 15898432.6000 15703912.1700 37370438.5900 28258223.0800 27488043.0900 34659864.2200 26021331.5100
Hex1Cer(d18:1_25:1)-H HexCer 18:1;O2/25:1 16434512.5400 16480638.7100 17418967.0500 15446568.8000 15520843.2700 34846439.8200 25184449.1200 23330094.0500 30494262.0300 21928487.9900
Hex1Cer(d18:2_18:1)+HCOO HexCer 18:2;O2/18:1 11117124.3400 26003826.2800 22523239.2000 20442697.7400 18323931.6400 20809806.4800 21819432.9800 15133014.1500 20498682.7000 18494859.4500
Hex1Cer(d18:2_20:4)+HCOO HexCer 18:2;O2/20:4 113007480.8000 136804141.6000 134547278.4000 120582155.5000 117499034.9000 167551955.6000 158711936 135107373.9000 159143196.6000 137309734.1000
Hex1Cer(d18:2_22:0)+HCOO HexCer 18:2;O2/22:0 8406933.0090 8578098.1930 8728916.3900 8126125.5690 8172956.1270 12977585.9200 10623627.4700 9095573.2330 12762620.8400 10899743.6200
Hex1Cer(d18:2_24:0)-H HexCer 18:2;O2/24:0 438103445.4000 437119678.8000 434231559.4000 399695722.4000 400532467.1000 733172990.8000 585850566.7000 549602190.9000 671125535.9000 562794895.5000
Hex1Cer(d18:2_24:1)-H HexCer 18:2;O2/24:1 30992310.5500 30364673.6000 29853419.2400 28946455.5000 29502777.9700 59512076.7500 49366579.3800 46183256.9100 45631548.9300 47547214.1900
Hex1Cer(d20:1_20:4)+HCOO HexCer 20:1;O2/20:4 15521407.1300 17027695.7400 16971317.4900 16954819.5200 16645429.2000 19782501.5200 21746036.6900 14881302.7100 22102529.5500 15785826.4600
Hex1Cer(d20:1_24:0)-H HexCer 20:1;O2/24:0 47979995.4800 48109752.6400 47923376.4400 46010348.2200 44328171.2400 61148332.1900 46014279.6500 46292248 51176965.8600 42637205.8600
Hex1Cer(d20:1_24:1)-H HexCer 20:1;O2/24:1 29211158.3400 31526525.0200 32575572.6600 27577946.3600 27834092.6900 49934637.7300 38959927.6800 34208281.4400 43114291.3100 37003822.0600
Hex1Cer(d21:0_24:6)+HCOO HexCer 21:0;O2/24:6* 2605385.8650 2681266.2040 2307568.0420 1764594.6480 2570091.9880 1906089.6200 2194248.8800 2017710.5130 2129626.1220 2607835.8500
Hex1Cer(d21:1_20:1)+HCOO HexCer 21:1;O2/20:1 16357188.2500 16834208 16402023.6900 15712284.7300 15755181.6800 33555587.3000 27444883.8300 24692199.7000 31310947.3100 25868044.1400
Hex1Cer(d22:0_20:4)+HCOO HexCer 22:0;O2/20:4 13711874.8900 15407647.5600 15022916.8800 14025954.7900 14165186.8300 29503822.6300 23291014.8400 23699832.5400 27782747.1600 23970896.7600
Hex1Cer(d22:1_18:0)+HCOO HexCer 22:1;O2/18:0 3845499.2530 3547700.7710 3532943.4190 3556382.2010 3286464.2580 5700603.5580 4895198.4330 4485520.8080 5547166.4120 5019608.7600
Hex1Cer(d22:1_22:6)+HCOO HexCer 22:1;O2/22:6 2314641.3040 1887772.3570 2089469.4140 1893544.1780 1901097.9880 3481980.0290 3544038.4090 3131269.4940 4605424.0570 2947227.3620
Hex1Cer(d29:0)+HCOO HexCer 29:0;O2 2878787.9170 1721179.0420 2254669.5500 2306804.6160 1344594.7590 3903622.1920 1672147.4630 1665654.1830 1400681.2670 1794026.4560
Hex1Cer(d30:1)+HCOO HexCer 30:1;O2 5892997.8380 6141813.8460 7318685.9370 8664712.8770 5181012.1640 10878451.6400 9066529.9050 8845889.0060 10917590.3700 9106996.6640
Hex1Cer(d31:1)+HCOO HexCer 31:1;O2 66488977.0400 68379620.3000 67694890.2300 66141216.8000 65656296.9200 123880023 110508143.2000 105394826.2000 124464119.1000 112141108.6000
Hex1Cer(d32:1)+HCOO HexCer 32:1;O2 34755210.4400 38134697.9700 36395020.4800 35127337.1800 33523055.2900 52680333.9400 39557713.4200 41170294.8500 51125029.4400 43450136.9600
Hex1Cer(d32:3)+HCOO HexCer 32:3;O2 3963881.3650 3383562.1690 3652509.7110 2884705.9670 3395259.5110 5607799.2380 4891965.3680 3979064.1850 6406901.8080 4493322.9940
Hex1Cer(d33:0)+HCOO HexCer 33:0;O2 13754281.2300 14969268.9600 14376274.8500 13531818.6200 13252052.5700 14275620.3700 11595753.2000 10685669.9400 13130840.0800 10820758.2600
Hex1Cer(d33:1)+HCOO HexCer 33:1;O2 31443090.1400 32977405.5700 32063521.4800 30465275.7000 27727473.0300 41992552.1300 36083644.2200 34088782.5500 39052309.1400 32517289.9300
Hex1Cer(d33:2+2O)+HCOO HexCer 33:2;O4 229133.7469 1112783.0020 3147284.7710 2807442.9860 3456786.4870 482478.7894 6609601.5930 6589547.4870 8963085.9580 3240416.1620
Hex1Cer(d34:0)+HCOO HexCer 34:0;O2 7228539.6350 8355050.2610 7677633.0930 7880731.2580 8111174.3500 6669280.6360 6172100.7770 7035430.7700 7222330 7406893.5640
Hex1Cer(d34:1)+HCOO HexCer 34:1;O2 261083.6572 232789.3399 605500.6740 1155292.8040 371389.9173 557129.3664 1091213.1640 831724.6326 199570.3947 638427.1098
Hex1Cer(d34:2)-H HexCer 34:2;O2 9603277.1720 11279066.6200 10847271.4800 8415926.0850 9673645.5740 16571587.5300 13998187.4400 11234392.6200 13343917.0900 13263186.3500
Hex1Cer(d34:2)+HCOO HexCer 34:2;O2 14628960.0800 4771100.4600 14085984.6800 4651409.1650 5417629.0670 38386855.1800 4335129.7550 3265249.8350 8053794.3410 5684335.4060
Hex1Cer(d35:0)+HCOO HexCer 35:0;O2 1473370.4910 1644101.4070 1557694.5480 1580778.5170 1674119.0530 814226.3950 660233.4580 626275.4631 838221.0073 308029.3821
Hex1Cer(d35:1)+HCOO HexCer 35:1;O2 17787859.6200 19378491.8600 19478807.1900 19422975.5400 16727191.2000 19481252.6700 14016291.8300 12490579.0500 15328734.3100 13872187.0900
Hex1Cer(d35:2)+HCOO HexCer 35:2;O2 32956294.6000 40067615.7500 40226275.5100 40285920.5400 34790130.4600 47643608.9200 40542565.8000 36280918.8300 44964669.6200 36814152.4700
Hex1Cer(d37:1)+HCOO HexCer 37:1;O2 4141315.3550 4211589.8750 4579628.1000 6686395.8400 8123162.6290 4977758.0010 3676360.9510 3538096.4170 4372759.0940 5292261.3710
Hex1Cer(d37:2)+HCOO HexCer 37:2;O2 16264387.7200 16891367.1000 16118796.4900 16006820.9900 14603276.5400 14234455.0500 12169451.1500 11193267.6700 14166946.2300 10831608.8700
Hex1Cer(d37:3)+HCOO HexCer 37:3;O2 1737577.9780 1345499.2220 1555147.3680 1586514.7110 1714573.1060 2053381.6200 1037309.2530 1692380.0550 1481365.4900 1407407.2820
Hex1Cer(d38:0)+HCOO HexCer 38:0;O2 1575754.4760 1533625.1480 1583015.3100 1474093.3700 1494154.2200 1675427.7810 1247087.1320 1631712.8740 1803993.9200 1459249.4940
Hex1Cer(d38:1)-H HexCer 38:1;O2 16507576.1300 15978054.3500 16509122.7100 16385987.7600 14862790.4800 15844248.9900 14340825.2400 13916736.2500 14399280.2000 13931847.4500
Hex1Cer(d38:1)+HCOO HexCer 38:1;O2 19508239.1600 20642675.3300 20348704.6200 18936265.8800 18921871.4300 33344550.7200 25780375.6200 26220281.0400 29874562.7300 24585758.6300
Hex1Cer(d38:3)+HCOO HexCer 38:3;O2 10650810.5800 11678701.3300 11458712.2200 10812373.5800 9778725.2950 9859897.3170 8232997.8650 7565516.3470 8871784.4420 7781782.4140
Hex1Cer(d39:1)-H HexCer 39:1;O2 6054898.6780 5899654.1730 5639553.6860 5609685.2440 6098435.0130 8339543.8010 6849276.4720 6778454.7370 7483576.2040 6085099.6850
Hex1Cer(d39:1)+HCOO HexCer 39:1;O2 2050614.2660 2049458.2730 1969553.9750 1892973.7590 1786070.8660 3759347.5100 2567982.3600 2620904.3010 3015477.5830 2516598.5580
Hex1Cer(d40:1)+HCOO HexCer 40:1;O2 1666904.9760 1770194.4730 2184285.8360 1297819.8130 1790996.3210 1791906.1910 2230677.9320 2157882.2590 2315792.5110 1815576.1530
Hex1Cer(d40:2)-H HexCer 40:2;O2 1038740.1200 1166781.5060 1022498.7900 1014897.8220 1010405.1770 1196613.7180 922668.4880 1046286.3300 1036930.9920 905854.4326
Hex1Cer(d40:2)+HCOO HexCer 40:2;O2 7690500.7640 8099850.7420 8472932.7260 8888568.1420 7132711.2680 6157656.6780 5773336.2890 5035159.0640 5767059.7030 4796571.8760
Hex1Cer(d40:3)-H HexCer 40:3;O2 1896616.7990 1849604.1550 1952225.2970 1746821.1240 1756985.7950 2044016.4610 1978354.7650 2164986.0250 2188386.0340 2037229.7430
Hex1Cer(d41:0)+HCOO HexCer 41:0;O2 2493234.2670 2524551.9020 2061840.9610 2319794.6800 2456620.2320 2574759.7640 1537442.9210 2718742.8540 2297380.3080 1842655.4180
Hex1Cer(d41:1)+HCOO HexCer 41:1;O2 969181.2714 925224.0486 942998.2164 743630.6687 759433.8239 1442644.8920 1053785.1080 1034901.5440 1219987.4860 1096330.0590
Hex1Cer(d41:2+2O)+HCOO HexCer 41:2;O4* 35743400.8700 44012238.8900 46891732.9200 43284035.9300 42523379.5200 40855001.0700 32619136.2000 31385053.6500 37957473.6100 30418126.4500
Hex1Cer(d42:1)-H HexCer 42:1;O2 25145353.6400 26049156.7400 25452981.0200 23252329.5700 23773921 36984552.1100 27553021.1800 32545460.3100 33520982.8100 28881802.1200
Hex1Cer(d42:1)+HCOO HexCer 42:1;O2 3474893.2980 6387080.1890 8273113.3510 7283702.6140 3340858.1550 3265845.2720 13563654 10662841.6200 3047023.7990 2512574.1970
Hex1Cer(d42:2)+HCOO HexCer 42:2;O2 3183643.3420 2466957.4250 2339818.5440 1741394.7790 2860113.9350 2736309.0360 958148.3568 1683992.9210 2765334.7050 1664987.9400
Hex1Cer(d42:3)+HCOO HexCer 42:3;O2 2354191.5650 3202615.6310 1630910.9800 3453846.1560 1697486.3850 278888.6255 1184042.3480 778703.2814 2137699.9370 934869.0001
Hex1Cer(d43:8)-H HexCer 43:8;O2 1608004.4570 2624119.8590 5982441.1060 2155660.8400 394649.0960 1236345.0320 14798850.3100 1995065.1810 779364.3694 8210251.6250
Hex1Cer(d44:1)+HCOO HexCer 44:1;O2 941115.4115 1166391.5500 1093784.6900 1014652.4110 822637.8375 1120607.9560 1127676.6420 1221224.6050 1170474.7370 1070786.9300
Hex1Cer(d44:1+O)+HCOO HexCer 44:1;O3 5800273.0860 6511288.0710 6534113.3820 6134822.6740 5769791.1370 8874583.2870 8838158.5800 9251786.8400 8261408.7320 8790913.0500
Hex1Cer(d44:3)+HCOO HexCer 44:3;O2 1995093.6310 2053385.9050 2057457.3050 1829231.7540 1838523.6370 4332949.5090 3127930.2620 3015541.7990 3878302.2760 3408071.5730
Hex1Cer(d44:4)+HCOO HexCer 44:4;O2 1860990.6780 1463445.0450 1880487.1930 1604824.1210 1924392.0150 3136151.4500 2282956.7410 2635639.8640 2540521.8140 2567177.5140
Hex1Cer(d45:5)+HCOO HexCer 45:5;O2 5268058.1450 5984750.7250 5674542.8820 5366973.1000 5223598.2080 7015183.7110 5339371.8100 5025691.8300 6305703.7260 4740377.3690
Hex1Cer(m17:0_16:0)+HCOO HexCer 17:0;O/16:0* 1031844.8980 1241476.6350 1297255.0210 1081227.4180 1365254.9340 1928763.3690 1431959.5840 956644.8088 1506477.2120 1389546.5560
Hex1Cer(m17:0_24:0)+HCOO HexCer 17:0;O/24:0* 8180544.2140 8203105.2710 7979779.2600 7331402.3380 7052296.2080 10482229.5500 8139086.9260 7707245.1000 9669588.7890 8284281.3000
Hex1Cer(m17:0_24:1)+HCOO HexCer 17:0;O/24:1* 3744594.6060 3561583.5330 3732559.1210 3716748.8430 3380097.4070 5310647.0230 4110207.5590 4119671.3100 4551653.0630 4305884.7180
Hex1Cer(m18:0_20:4)+HCOO HexCer 18:0;O/20:4* 29256259.4300 29579564.3000 30182347.7600 30486792.3600 27707863.3200 42221945.7000 34975120.2100 33809037.4300 38207054.7900 33187219.9500
Hex1Cer(m18:1_22:6)+HCOO HexCer 18:1;O/22:6* 7578279.3980 7656581.3610 8142748.8490 7771651.2340 6832480.9150 10848100.2900 10160238.1400 8742827.4110 11268719.5500 9537485.4020
Hex1Cer(m20:0_20:4)+HCOO HexCer 20:0;O/20:4* 5998740.6660 6435091.0650 6409346.8700 6124883.3690 5554002.8180 7962079.3420 5940886.8240 5835171.2810 7538578.0100 5974005.9970
Hex1Cer(m20:1_22:6)+HCOO HexCer 20:1;O/22:6* 2269305.2710 2060510.4190 2268183.2340 2225125.4580 1872262.7160 3870029.9520 2934572.8080 2561891.1710 3899091.3520 2963474.9510
Hex1Cer(m22:0_18:1)+HCOO HexCer 22:0;O/18:1* 1546649.8860 1380878.1900 1188260.3450 3775469.6320 1361805.9470 1902332.2000 1564154.2910 1663719.6590 1805804.7890 1747171.8100
Hex1Cer(m22:0_20:4)+HCOO HexCer 22:0;O/20:4* 3875680.1200 4126298.1790 3961198.4760 3974029.8460 4025012.9610 5648347.7550 5673455.7840 5758260.2760 5756075.5390 5713671.8810
Hex1Cer(m34:2)+HCOO HexCer 34:2;O* 3295723.7280 4137505.6490 4220134.1430 4479312.3900 3996928.7320 5909665.5380 4551386.8550 4568980.5680 5380171.5460 4610539.2340
Hex1Cer(m36:1)+HCOO HexCer 36:1;O* 89588540.7600 93261032.3000 95392842.1000 90824152.1400 86627936.3000 121926150.7000 98090849.4100 98434922.3600 111665517.5000 91363039.2600
Hex1Cer(m38:2)-H HexCer 38:2;O* 2506623.5320 2262857.1370 2397852.7380 2200720.0360 2312156.5440 3059780.5870 2444264.8230 2612196.4710 2833722.6950 2795098.7310
Hex1Cer(m38:3)-H HexCer 38:3;O* 1600278.0810 1794357.8060 1765086.1720 2120865.1120 1591934.4550 1992351.1600 2372309.0670 1863849.6440 1407630.0100 2448332.2830
Hex1Cer(m38:4)-H HexCer 38:4;O* 3385848.9450 3132331.4030 2884327.8380 2945414.1580 3317775.7360 5239436.3360 4866247.0390 4724189.0160 4866999.1620 5191384.7690
Hex1Cer(m39:4)-H HexCer 39:4;O* 5815568.6590 4667756.2990 4709338.1200 4546498.0020 4946744.7120 7742690.3240 6782239.4520 6144078.9860 7300752.3640 6767620.9290
Hex1Cer(m40:0+O)+HCOO HexCer 40:0;O2 17419849.0600 18067120.1100 17664103 16814596.7700 17176145.6000 18455197.5600 15801708.1900 21885469.2800 18590287.9200 16886908.0600
Hex1Cer(m40:1)+HCOO HexCer 40:1;O* 1633905.6530 1801382.8920 1650652.0630 1546711.0440 1550730.7900 2008349.7650 1464905.4050 1580159.2400 1644925.8500 1360823.9730
Hex1Cer(m40:3)-H HexCer 40:3;O* 31792761.6100 30574287.0300 31455979.9700 30815915.6100 29593748.9300 37979439.2000 33589546.9300 34363081.4000 37395858.7800 35349465.7100
Hex1Cer(m40:4)-H HexCer 40:4;O* 11299590.5700 13755207.8000 12490073.0500 13962452.6700 10945401.1800 16082044.5200 16675553.0200 14906808.5400 17922821.5700 16647804.9700
Hex1Cer(m40:5)-H HexCer 40:5;O* 8060360.7460 7205417.6460 533818.3101 8415434.6150 7737523.1810 694392.1305 741657.6929 12111670.2300 664350.7844 1434178.7280
Hex1Cer(m41:0+O)+HCOO HexCer 41:0;O2 2621937.7190 2958436.5080 2235764.6220 2374721.7630 2402628.3590 2645761.1640 1596418.0150 2687122.4150 2327198.3720 2001749.6320
Hex1Cer(m41:1)+HCOO HexCer 41:1;O* 3454883.3640 3116790.1560 3029583.0760 2919028.2870 3308415.1560 4606469.6200 3612323.4720 3441862.8100 3994740.9580 3939356.2830
Hex1Cer(m41:4)-H HexCer 41:4;O* 1873622.9280 1733167.7110 1827109.0850 1635382.5510 1563316.4370 2740521.6720 2054652.4870 1788518.2720 2485674.8370 1985635.5230
Hex1Cer(m44:0+O)+HCOO HexCer 44:0;O2 1443385.3380 1496118.4980 1331375.1060 1208096.0170 1146532.1550 1314172.3420 858365.3011 1518884.5900 1030069.6930 950739.6249
Hex1Cer(m45:1+O)+HCOO HexCer 45:1;O2 523153.9939 1345245.8850 1175210.8880 429392.1059 498377.5123 866221.5762 739006.7642 572173.6451 671985.2308 565303.2898
Hex1Cer(m46:1+O)+HCOO HexCer 46:1;O2 581035.6620 661249.2252 594600.3826 634302.5805 569372.0052 834739.2143 635462.8305 687488.4445 718446.5401 538234.2223
Hex1Cer(t16:0_18:1)+HCOO HexCer 16:0;O3/18:1 8359668.8540 7801058.1900 9440286.6180 6977701.5010 10475999.4100 16253013.4700 14504912.8600 16069195.6700 16737895.3100 15505319.4400
Hex1Cer(t16:0_20:4)-H HexCer 16:0;O3/20:4 32603224.7100 35545860.0200 36064423.7400 32674462.6400 29929068.8500 44467865.0700 36598642.8200 35412505.3000 40775032.9500 36589099.4300
Hex1Cer(t16:0_22:5)-H HexCer 16:0;O3/22:5 225024479.4000 247863143.9000 239809145.7000 233775089 220950170.1000 296727818.1000 270913428.3000 271202145.9000 289356756.9000 242105638.2000
Hex1Cer(t16:0_22:6)-H HexCer 16:0;O3/22:6 34548120.5800 36863279.6900 38852359.3000 33988352.5700 32811659.9100 54775489.0800 44164742.2400 42408067.6800 49083998.7800 36884209.2100
Hex1Cer(t16:0_22:6)+HCOO HexCer 16:0;O3/22:6 187960.1105 167766.6760 249866.4349 202130.2932 233730.8634 1247509.3820 276560.8480 416839.9929 406520.8471 360954.5960
Hex1Cer(t16:0_24:5)-H HexCer 16:0;O3/24:5* 4105612.0290 6329921.6920 3917814.8290 6723577.2850 3857241.3350 7126761.1800 5271273.0580 4724155.8110 4083873.2880 5364616.4990
Hex1Cer(t16:1_25:5)+HCOO HexCer 16:1;O3/25:5* 7400154.1420 8169620.1600 7889492.4310 7118231.5570 6675420.7100 11956260.6000 9443504.8460 8967368.4800 11861675.3400 8782720.0210
Hex1Cer(t17:0_18:0)+HCOO HexCer 17:0;O3/18:0 74495232.6200 77864873.4900 81832156.5900 76131329.3800 71817378.5600 84783902.2200 69866176.2800 63469289.7700 77452983.0900 62800656.9900
Hex1Cer(t17:0_22:6)+HCOO HexCer 17:0;O3/22:6 3849719.2660 4017091.7970 4030012.3360 3701863.9590 3749715.4580 7016642.7200 5894676.2730 5224371.9520 6860884.9620 4990140.8890
Hex1Cer(t17:0_24:6)-H HexCer 17:0;O3/24:6* 37802802.6300 37124291.0700 37174279.5700 36306698.8400 37131028.7400 35259974.2600 29789236.7600 30441796.5400 33381966.4100 27574093.0700
Hex1Cer(t17:1_22:5)-H HexCer 17:1;O3/22:5* 41235810.2600 42259944.3000 42861273.6400 40843528.4400 38944561.9500 61712798.5600 54235855.5000 46438208.4000 56044018.1800 51057789.9000
Hex1Cer(t17:1_24:5)-H HexCer 17:1;O3/24:5* 19244550.8100 19789678.2600 18719213.4500 18737855.8800 19186769.4600 33166305.4000 23828275.9600 22552150.9900 31599662.3000 25681141.8900
Hex1Cer(t17:1_24:6)-H HexCer 17:1;O3/24:6* 13846637.3400 13796559.2500 13301754.6200 13556947.9100 12243409 14955189.9800 11504545.1400 10067594.3600 12618405.8500 11066465.6200
Hex1Cer(t17:1_26:6)-H HexCer 17:1;O3/26:6* 1314151.4560 1225592.7900 1349735.0930 1312282.5280 1300217.8380 1346783.8390 1778766.5590 1404150.0170 1534727.9900 1498583.4560
Hex1Cer(t18:0_20:4)-H HexCer 18:0;O3/20:4 3085465.7390 5880119.1410 6089377.8880 3039305.4630 6158728.0230 5430437.1110 5469433.2150 6043130.2900 6865512.9660 5086041.9070
Hex1Cer(t18:0_20:4)+HCOO HexCer 18:0;O3/20:4 183611557.2000 191438508.4000 191628774.2000 182667422.1000 171100868.8000 306451623.6000 241108932.5000 243391693.6000 290637609.1000 239305586.1000
Hex1Cer(t18:0_22:3)+HCOO HexCer 18:0;O3/22:3* 29029213.4100 31823402.3800 28726546.9100 29400339.0200 27196852.6100 19913249.2000 16898860.7300 17612279.3800 20154832.9600 17005041.5100
Hex1Cer(t18:0_22:6)+HCOO HexCer 18:0;O3/22:6 243014248.2000 261631009.4000 259617516.3000 251378611 242714826 390960878.5000 352011722 328583480 388307736.2000 332554301.1000
Hex1Cer(t18:0_23:5)+HCOO HexCer 18:0;O3/23:5* 9823488.5150 6985227.0630 11383809.6600 8464582.8660 9525822.1710 12656877.8000 9526970.0760 7252417.9300 10069102.9400 8815727.4900
Hex1Cer(t18:1_18:0)+HCOO HexCer 18:1;O3/18:0* 987650518.3000 1020476265 981548916.3000 1043118958 936539768.2000 1290225914 1038887493 1092786128 1200549395 975848634.7000
Hex1Cer(t18:1_22:6)-H HexCer 18:1;O3/22:6* 846330.8252 2788059.5950 1818998.8340 2680913.1860 1306245.1580 4749486.3010 3124040.7990 1910654.0470 2989778.3010 1902681.9760
Hex1Cer(t18:1_22:6)+HCOO HexCer 18:1;O3/22:6* 968085.1873 1633175.8370 1301992.7670 1561679.1430 1429267.8240 2638747.7720 1902465.7810 1315548.3020 2983939.0520 1533529.4920
Hex1Cer(t18:1_25:4)+HCOO HexCer 18:1;O3/25:4* 1411833.6090 1592818.1230 1791736.6630 1006840.5250 1354383.3050 2301866.1290 1324232.9470 1589492.3890 1621506.9140 1386432.7790
Hex1Cer(t20:0_22:1)+HCOO HexCer 20:0;O3/22:1 13041873.3200 12103208.2700 12464245.6700 12494501.4800 12394261.0100 18085169.1100 14936654.1500 14629417.5400 16033893.7800 14659803.7400
Hex1Cer(t20:0_22:5)+HCOO HexCer 20:0;O3/22:5 52663734.4600 49965174.0100 49032370.0600 45440953.1100 47131124.4500 43378707.2700 30553106.2400 38294852.5000 40791240.5200 30636281.8500
Hex1Cer(t20:0_24:6)+HCOO HexCer 20:0;O3/24:6* 4824604.1400 4104492.7840 4729270.0510 4256896.2260 4991911.2290 5471350.6840 3328545.7040 3378405.5780 4603597.9140 3581542.7680
Hex1Cer(t20:1_22:5)+HCOO HexCer 20:1;O3/22:5* 21366460.0800 19111368.9600 20572202.3400 20311709.9000 19330137.9500 25106060.1200 18564497.1500 19175211.3200 22267333.5100 18255753.2900
Hex1Cer(t20:1_22:6)+HCOO HexCer 20:1;O3/22:6* 126371104.4000 122255772 123431035.6000 119783793.5000 118553740 205052313.4000 158819063.2000 153821108.7000 190181683.7000 160942906.8000
Hex1Cer(t20:1_24:6)+HCOO HexCer 20:1;O3/24:6* 3997107.9830 3610938.4090 3812497.4550 2527753.0910 2995803.1070 3182270.5460 3827588.6300 4280346.5870 3425047.8400 3773462.7460
Hex1Cer(t30:0)+HCOO HexCer 30:0;O3 2599496.9900 2695141.6020 2610746.5300 2684864.5590 2546453.8460 3683311.7560 3129840.7730 2701588.3100 3329962.4650 2866612.5530
Hex1Cer(t32:0)+HCOO HexCer 32:0;O3 186747262.7000 189389627.8000 191961049.1000 186362813.2000 172784464 204202483 170477585.9000 166919184 194011039 162299064.3000
Hex1Cer(t32:1)+HCOO HexCer 32:1;O3 1305042.0910 996166.8153 1485896.6200 864132.8343 1124807.2080 2728413.0760 2502159.4750 1926273.1240 2578821.3090 656717.7548
Hex1Cer(t33:1)-H HexCer 33:1;O3 29103802.9100 24878608.9000 22254716.1000 22350108.4200 32475327.1000 43810746.9600 30309091.5100 38777989.9000 47982503.8400 27932766.2000
Hex1Cer(t34:0)+HCOO HexCer 34:0;O3 376705888.8000 410768922.8000 394191159.3000 382692164.2000 348576506.5000 481303532.3000 423674190.4000 427536061.8000 466571560.8000 397871384.9000
Hex1Cer(t34:1)+HCOO HexCer 34:1;O3 218378111.5000 382743907.7000 242205427 368359636.8000 316531783.9000 527713980.8000 424714481.9000 401137759.3000 486354572.7000 406835467
Hex1Cer(t34:2)+HCOO HexCer 34:2;O3 1847338.8810 2104264.1930 2873414.5000 2353356.6650 1866397.9920 3315698.1310 2905100.6940 2741198.7050 3439205.3060 2853070.5710
Hex1Cer(t35:1)-H HexCer 35:1;O3 87609669.2600 92022848.2600 90686896.1500 90347525.0300 82787788.2600 123789441.7000 107188966.9000 105208905.8000 124226761.8000 99915282.1800
Hex1Cer(t36:0)+HCOO HexCer 36:0;O3 87877303.3100 92352646.3800 42729961.0500 89713223.7800 86470366.9000 62504910.5400 95623117.8800 95647363.0900 105141852.2000 87613065.6000
Hex1Cer(t36:1)+HCOO HexCer 36:1;O3 12834749.8400 4122248.9800 11554824.2800 3709619.9280 5952898.3840 5273368.4540 12454463.8400 6555782.7440 2251817.2070 2449704.4140
Hex1Cer(t36:2)+HCOO HexCer 36:2;O3 67837641.9900 128441675.8000 128642976.9000 126321391.7000 63920996.2400 193725884.2000 161829704.3000 153864559.2000 183161112.7000 144119931.9000
Hex1Cer(t36:3)-H HexCer 36:3;O3 25641869.1000 19463499.7000 19462551.8100 17098790.1800 20141103.8000 32444369.1300 15559863.0400 14911993.7100 20874407.6300 14556621.5500
Hex1Cer(t36:3)+HCOO HexCer 36:3;O3 1402781.8540 555787.6092 312783.8826 789447.4576 1277171.9880 2354815.4580 935016.0720 762511.4282 374983.1171 979761.3481
Hex1Cer(t37:1)+HCOO HexCer 37:1;O3 24268212.8300 27323942.7800 25093705.3000 24693992.9600 23207282.5500 31673126.2800 23698269.8000 21221034.7800 22185415.1300 21667318.8700
Hex1Cer(t37:2)+HCOO HexCer 37:2;O3 3403992.4770 2782997.5030 2700840.7950 3623111.9430 4481955.3150 4574041.4050 4360388.1660 2568728.0840 6226508.4490 5816050.6970
Hex1Cer(t37:4)+HCOO HexCer 37:4;O3 441726.1714 1084298.0870 904881.6316 1544779.6400 658074.9772 1240288.3880 1028910.6800 751586.3911 886297.3030 1028633.9510
Hex1Cer(t38:1)-H HexCer 38:1;O3 3907824.2360 4574667.3940 4206233.6290 4036161.4750 3910667.9210 6254106.1610 4756738.5380 4516951.9550 5398987.5540 4300549.1490
Hex1Cer(t38:1)+HCOO HexCer 38:1;O3 309609541.8000 336087184 338331898.5000 335759135.2000 313047522.1000 434285176.5000 356047221.9000 364760186 412543057 332981449.2000
Hex1Cer(t38:1+O)+HCOO HexCer 38:1;O3 2483361525 2479122171 2390335836 2404016131 2284991454 2542097138 2024826408 2082799038 2376048840 1941868845
Hex1Cer(t38:2+O)+HCOO HexCer 38:2;O3 3659978.0940 9316497.5740 8987718.3900 7930751.4880 3750368.5870 7146614.0310 3735059.5100 7455424.3210 7586529.2540 4038227.7670
Hex1Cer(t38:3)-H HexCer 38:3;O3 6909778.0410 11148435.5500 9422335.1420 11046358.8800 7837578.9800 9567406.4520 7858487.8000 5963729.2450 5399738.7880 7079505.5110
Hex1Cer(t39:1)-H HexCer 39:1;O3 14870032.4600 15830507.1900 15791254.3400 15095498.2000 14076787.5600 21821844.7100 16338802.6900 16232369.6300 19632918.2400 15179938.4800
Hex1Cer(t39:2)-H HexCer 39:2;O3 2464594.8380 2136247 2768898.6610 1687698.3060 2175998.9910 2185430.3560 1520659.1890 1283436.4840 1807925.1910 1208836.6750
Hex1Cer(t39:3)-H HexCer 39:3;O3 23827424.0700 24464666.3900 25795230.1600 23369974.0100 21534514.8500 14931629.6700 13346980.1600 13326407.6100 16135949.0800 10946816.5000
Hex1Cer(t39:3)+HCOO HexCer 39:3;O3 6412034.1230 6544235.6500 4230897.6590 6145703.6910 6757020.2950 6632769.5520 5940016.2770 5127730.2400 7353841.7720 5102095.8640
Hex1Cer(t39:4)-H HexCer 39:4;O3 25184715.3700 24343747.1600 26985173.6100 49155134.1900 26160554.2600 29666141.8600 24026327.9800 48447688.4300 24894882.3200 50048756.1500
Hex1Cer(t40:1)+HCOO HexCer 40:1;O3 92982076.0200 97151547.3200 88294959.1500 95550169.5200 87885379.9200 46975783.8700 39188841.5200 33688342.2300 45155437.6700 35751174.0600
Hex1Cer(t40:2)-H HexCer 40:2;O3 1782788.4630 1426123.2550 1262441.1120 1159203.9530 1264435.4840 1046133.3210 1060922.3920 321141.8925 980847.1591 1016361.0800
Hex1Cer(t40:4)+HCOO HexCer 40:4;O3 22658246.5700 23259510.1000 26081648.2700 21988312.6300 19185637.7800 53298096.8900 43453193.5000 29684503.7100 51841578.3900 37168907.9300
Hex1Cer(t41:0)+HCOO HexCer 41:0;O3 434351046.8000 476423154.5000 463518013.6000 428772736.6000 429833879 510129714.2000 448867098.9000 418896305.7000 465753802.4000 401359055.5000
Hex1Cer(t41:2)-H HexCer 41:2;O3 5282568.7710 5154390.5220 5557643.6890 5254776.9260 5020458.8760 5823032.4050 4307907.3100 3995765.6670 5082032.8470 3853710.1850
Hex1Cer(t41:4)+HCOO HexCer 41:4;O3 2309796.8700 1466617.9260 1763449.3550 1754613.1080 1603590.4960 2357826.4670 1920078.8310 584199.2416 1959569.3420 1996195.1970
Hex1Cer(t41:7)+HCOO HexCer 41:7;O3* 921356.7647 1066635.1080 1191008.2480 1194229.1380 867539.2624 1086272.9370 1159517.4300 1180991.8090 1070910.2980 1118873.1800
Hex1Cer(t42:0)-H HexCer 42:0;O3 33751852.4900 34434146.0400 33344351.4200 31930591.0600 31232782.9900 43926129.2400 33577213.2500 34783548.3900 39665385.2500 32601284.0400
Hex1Cer(t42:0+O)+HCOO HexCer 42:0;O3 1336328.0640 1402361.4630 1308757.6650 1230289.2650 1515132.9530 2798636.7520 2221224.8020 2119590.9910 2192955 1976221.8990
Hex1Cer(t42:2)+HCOO HexCer 42:2;O3 4442679.6350 7508000.9950 5143355.5110 5265188.5870 4696482.3150 9727801.1570 2311708.7440 3184254.4510 8278185.2120 2563389.4070
Hex1Cer(t43:6)+HCOO HexCer 43:6;O3 1239120.2730 1249573.3900 2316930.4050 1240392.6970 1489098.1110 2538791.1540 1555109.7350 1730984.8520 1759745.7020 1266402.1840
Hex1Cer(t44:0)+HCOO HexCer 44:0;O3 1817271.9440 1911433.2370 1929225.9640 1776526.1770 1792705.9620 2242512.0150 1762036.4170 1521059.4790 2096053.1750 1482750.7190
Hex1Cer(t44:1)+HCOO HexCer 44:1;O3 3846355.9200 3810153.5340 3716404.4700 3382478.8360 3272124.7460 4667146.6330 2824942.5130 3020259.1620 3918514.6110 2832490.4670
Hex1Cer(t44:2)+HCOO HexCer 44:2;O3 10387955.2600 10964014.4300 10615170.4800 10953886.0800 9201750.4530 11039508.1700 8833008.4850 5962831.3110 10087673.7200 7714250.5940
Hex1Cer(t44:5)+HCOO HexCer 44:5;O3 6139616.6480 8828482.9180 5877799.7840 5860966.4270 5665542.1480 8589141.0550 6097511.8130 5473357.1160 7027574.7690 5532723.1320
Hex1Cer(t45:5)+HCOO HexCer 45:5;O3* 881301.0308 769757.5484 937980.2899 932617.0424 887450.2358 1145169.2140 1565337.8330 916159.3644 979378.2421 988892.7692
Hex1Cer(t46:1)+HCOO HexCer 46:1;O3 1205659.7430 1567103.5120 1282485.7320 1184967.0780 1052723.7170 1612074.7380 1256907.7760 1054530.2630 1554669.5080 1092412.0500
Hex1Cer(t46:2)+HCOO HexCer 46:2;O3 2564278.2450 2120379.7230 2531295.4130 2101044.0130 2475248.9980 3285306.2190 1724951.8760 1632327.9660 2724386.3860 2021820.5220
Hex2Cer(d12:0_23:5)-H 453633.8405 459579.2724 496753.7668 362320.6229 326962.9662 882265.6743 823710.8734 535916.3402 1392576.3070 542975.6068
Hex2Cer(d13:0_18:0)-H 1899854.1110 2329517.9530 2136436.7180 2693112.4390 2012251.3850 4375847.5040 3067276.3250 3131222.2720 3706489.7260 2338613.2820
Hex2Cer(d13:0_18:1)-H 1005182.1280 787976.7314 953745.2179 948013.8199 816224.7718 1635301.0690 973907.5433 925075.8950 1351556.3910 1035953.8420
Hex2Cer(d14:0_18:1)-H Hex2Cer 14:0;O2/18:1 11588025.9600 11814299.6100 12136575.7600 10559646.3000 10611750.8900 17527504.1500 12731562.9700 10814416.4400 14820885.2300 11305488.6300
Hex2Cer(d14:0_18:1)+HCOO Hex2Cer 14:0;O2/18:1 6390381.3890 1414524.0450 1931728.3840 874393.3770 1714516.7080 2762074.2640 3244093.0040 1845808.3400 2569443.9650 1778724.4270
Hex2Cer(d16:0_18:2)-H Hex2Cer 16:0;O2/18:2 2255684.8710 2326981.9470 2347766.2290 2330940.0830 2214053.9380 3760144.6410 2526715.2040 2785912.6320 2939094.1400 2418587.8460
Hex2Cer(d18:1_16:0)-H Hex2Cer 18:1;O2/16:0 138454472 140783605.9000 148448555.7000 137525106.7000 134678337.6000 207787330.1000 181950146.9000 152512611.1000 193081898.7000 173773646.2000
Hex2Cer(d18:1_20:0)-H Hex2Cer 18:1;O2/20:0 10488189.7300 10406565.0500 11388917.7700 10145999 10158656.0300 12636797.6300 9648474.1690 9502963.8900 10758106.4200 8710618.0450
Hex2Cer(d18:1_22:0)-H Hex2Cer 18:1;O2/22:0 116022285.9000 113595396.7000 110390798.1000 104566600.9000 106401786.6000 144825902.2000 120619511.7000 120709708.6000 127290713.4000 113783528
Hex2Cer(d18:1_23:0)-H Hex2Cer 18:1;O2/23:0 56849954.4300 54918339.2400 53834182.8500 49118170.5600 50853294.9500 81486946.4900 60382286.5700 60693528.4900 67160485.2900 57254023.6100
Hex2Cer(d18:1_24:0)-H Hex2Cer 18:1;O2/24:0 546822704.7000 523805019.3000 520202238.3000 479328267 497428231.1000 860011009.4000 657848879.7000 659191592.5000 714198491.8000 641565578.1000
Hex2Cer(d18:1_24:1)-H Hex2Cer 18:1;O2/24:1 257397487.1000 236212383.3000 244479415.4000 229167878.1000 236279690.4000 420138318.1000 322523103.4000 305375881.1000 341208651.4000 308705573.6000
Hex2Cer(d26:1)-H Hex2Cer 26:1;O2 1431945.2130 310082.9717 151960.0220 163858.1156 330209.0821 809982.2169 592980.5023 309293.2899 533134.9938 256547.0877
Hex2Cer(d28:0)-H Hex2Cer 28:0;O2 1344184.0620 559654.7234 706583.9189 516057.1088 663886.2348 1414131.3160 805332.0114 1005278.4720 960371.0684 881067.2651
Hex2Cer(d29:0)-H Hex2Cer 29:0;O2 3321774.4120 4475406.4750 4765346.3530 3814496.3200 3168710.1680 6745279.4720 4510494.4900 3950359.9700 5076361.4640 3846205.9370
Hex2Cer(d30:1)+HCOO Hex2Cer 30:1;O2 4938652.3920 595077.6276 730447.5113 305025.3019 243758.0128 1397742.5300 2610755.5330 1719852.5550 1905601.2120 1367071.3830
Hex2Cer(d32:1+O)+HCOO Hex2Cer 32:1;O3 475320.1921 312361.0916 682283.7578 477238.1596 493042.1715 1202847.0260 710186.6433 724636.8338 1023024.5100 801030.9859
Hex2Cer(d32:2)+HCOO Hex2Cer 32:2;O2 6127470.3390 5822977.3810 5744433.7560 4938005.0520 5848901.9920 9674828.6290 5756614.7850 6791038.3470 8162487.5330 5769834.1940
Hex2Cer(d33:1)-H Hex2Cer 33:1;O2 7777508.2960 8968595.7360 8814004.7920 7945797.4760 7605769.0170 11415213.4800 8585886.0100 8292773.4250 9454025.4880 8000122.9560
Hex2Cer(d33:3)-H Hex2Cer 33:3;O2 496450.7913 528693.8614 472492.8503 436600.8922 541789.2355 786008.4554 267996.3461 247936.0900 514615.7222 124184.1554
Hex2Cer(d34:0)+HCOO Hex2Cer 34:0;O2 8920162.1720 10195048.4000 11917424.9000 9449427.8530 9884566.4600 9554139.5090 11131795.1500 12077758.7400 9845843.4120 11767485.0800
Hex2Cer(d34:1+O)+HCOO Hex2Cer 34:1;O3 10825908.6600 10618243.0800 10203325.3000 9224478.8470 10052944.8000 18150062.7800 14190115.1900 14996845.4300 16383052.4700 13675875.5100
Hex2Cer(d34:2+O)+HCOO Hex2Cer 34:2;O3 1332127.6960 1621486.5810 1658868.4520 1527790.1580 1263102.7520 2602059.7930 2172142.5080 2453317.6130 2651377.5780 1942805.0870
Hex2Cer(d35:1)+HCOO Hex2Cer 35:1;O2 1960677.6780 1815851.5460 2059384.5130 1762930.7800 1901244.6580 3065365.7940 2421732.0230 2075499.0980 2238433.0740 2342526.3140
Hex2Cer(d35:2)-H Hex2Cer 35:2;O2 2149318.3960 1923265.5850 1937973.2710 2172329.6210 2101583.9520 2180086.0350 2506013.7740 2619402.3340 2332440.0100 2228283.7320
Hex2Cer(d36:1)-H Hex2Cer 36:1;O2 12911691.1500 13717417.4300 14034935.5900 11427643.4700 12121072.2000 12663675.5900 12331179.5100 11541986.6300 12105693.7200 13347700.8600
Hex2Cer(d36:2)+HCOO Hex2Cer 36:2;O2 1293102.0940 957194.1856 572792.3364 500901.7670 466746.1690 498957.7101 196941.4253 361695.8477 359216.1626 469998.2644
Hex2Cer(d38:7)-H Hex2Cer 38:7;O2 3664390.0160 1981497.1100 2157935.0640 2526180.8050 2456558.8760 2180441.8830 2174785.1890 4375900.7320 2232755.3920 2849011.4630
Hex2Cer(d39:1)+HCOO Hex2Cer 39:1;O2 2883491.5640 2535144.5310 2735917.5360 2536849.9450 2753584.6030 3722677.6680 2810142.3980 2575075.5760 3189057.0430 2586402.5900
Hex2Cer(d40:0)-H Hex2Cer 40:0;O2 12940903.3900 12672754.4000 12776928.2700 11645091.1600 11013818.4400 11849795.1400 9374451.2800 13671721.9300 10300248.2900 9525366.4930
Hex2Cer(d40:2)-H Hex2Cer 40:2;O2 9704375.3190 9746704.2580 9355190.8310 8332144.1800 8722493.4560 14607039.4400 11695744.2900 10261031.0700 13104773.7900 11129261.9000
Hex2Cer(d41:2)-H Hex2Cer 41:2;O2 14191710.3600 13775422.9600 13773608.0300 13623702.4900 13673761.4000 21686555.7500 19336283.9900 16148363.3700 20202527.6700 18328051.1700
Hex2Cer(d42:0)-H Hex2Cer 42:0;O2 19647346.6100 19009051.3300 19373797.2800 17396391.7000 18590908.2800 24166731.1400 17656640.5700 25401922.1900 20166338.0800 18800307.6100
Hex2Cer(d42:1)-H Hex2Cer 42:1;O2 19439502.3900 20029615.9100 15665983.8100 17799684.6400 18789487.9900 22228233.6700 18298276.2100 22111809.2400 20319187.7500 18036435.9000
Hex2Cer(d42:1+O)+HCOO Hex2Cer 42:1;O3 6078104.5900 6472280.7600 5689996.4650 5873962.7270 5516447.7000 7966340.8550 7024275.5780 6285886.0460 7073390.9590 6634270.9010
Hex2Cer(d42:3)-H Hex2Cer 42:3;O2 13527410.9600 12812401.4500 13443062.9900 12534104.4100 12200239.6600 24728035.0200 19035052.1500 17359902.5900 21743482.3400 19003342.1700
Hex2Cer(d43:1)-H Hex2Cer 43:1;O2 10389963.7800 10708958.3600 10202017.1500 9670558.5070 9042483.5840 21001923.9300 16746670.7200 15144215.5100 18910393.0800 15343749.9600
Hex2Cer(d43:2)-H Hex2Cer 43:2;O2 9554159.9320 8697524.6570 8936437.4770 7891939.6430 8990978.1120 15380993.7000 12624450.3200 11498930.4100 13133614.6000 11419554.4700
Hex2Cer(d44:1)-H Hex2Cer 44:1;O2 35822653 34379425.8600 33435474.2600 31545862.5200 30799087.5400 46808653.1300 34588246.4200 34944044.1200 38888749.5100 32511094.6800
Hex2Cer(d44:1+O)+HCOO Hex2Cer 44:1;O3* 796159.2243 580242.5539 731274.1650 764213.9019 667023.1382 1031831.7700 1196846.0060 1035182.0600 1142512.6290 1303379.3990
Hex2Cer(d44:2)-H Hex2Cer 44:2;O2 28689058.1900 29092174.7800 27935682.8300 26516559.5500 26247463.2700 43485029.0400 33091780.5800 30895655.2300 39302578.4800 32731572.7900
Hex2Cer(d44:3)+HCOO Hex2Cer 44:3;O2 801112.8571 1338681.9840 1191052.6550 1214575.0080 1308390.9580 2798378.0940 1683128.5050 1529990.0750 2282588.2020 2078149.9230
Hex2Cer(d44:4)+HCOO Hex2Cer 44:4;O2 3650663.2250 3589022.9160 3756736.6560 3470407.4730 3985148.9750 4982761.2940 5639030.8790 5111417.3340 4603063.3900 4962632.4030
Hex2Cer(d44:5)+HCOO Hex2Cer 44:5;O2 273721.4994 618819.3591 389940.8598 508506.1164 371623.7466 879393.9060 1185772.4420 678365.4765 406867.7300 1186929.9750
Hex2Cer(d44:8)-H Hex2Cer 44:8;O2 5114030.3020 4878432.2380 4834514.2300 4994680.7650 4583648.4300 6701573.5480 6092422.1770 5850856.0720 6396286.5510 5390978.8050
Hex2Cer(d46:4)+HCOO Hex2Cer 46:4;O2 868899.5522 931953.0370 949934.2699 725212.1632 738519.9312 1114979.9230 1102700.6750 931476.1239 1153729.3690 943514.2505
Hex2Cer(m17:0_20:4)-H 39336758.0200 39808395.5000 38268927.6500 35929488.8900 38309216.6300 58755754.6800 44597268.5000 42698258.5000 53010906.5300 44495898.3400
Hex2Cer(m17:0_22:5)-H 8183465.5730 6718405.2490 7627005.9490 6821999.2810 5843035.1150 8549042.5100 5159917.9670 7492444.3330 7209807.2670 6764753.0810
Hex2Cer(m17:1_22:6)-H 1037903.6920 1355208.1100 1613468.2130 1147812.2320 917044.7641 129639.2534 244972.4445 397475.3852 732445.6318 401238.0209
Hex2Cer(m18:0_20:3)-H 17971362.0900 18193201.3600 17746563.5100 17875604.2600 19153660.5900 22632667.6000 23682740.2100 24127828.2000 21278962.0300 23473328.3300
Hex2Cer(m19:0_20:4)-H 5687155.8120 6396319.4330 6391240.3240 5762899.0150 5729151.0980 7529921.6280 6548270.6690 6729750.0160 8370197.7730 6480884.9740
Hex2Cer(m21:0_18:2)-H 42271624.9500 43661731.6900 43669113.1500 42916501.9500 39328056.9700 33298903.4800 27717129.1200 23430691.3400 30610602.8400 25641587.3000
Hex2Cer(m34:0)-H Hex2Cer 34:0;O* 75560169.4400 54267751.0400 62990888.0600 91873886.4300 133343988.6000 127019562.4000 71783972.8400 93483602.5300 107961633.1000 56900129.5100
Hex2Cer(m34:0+O)+HCOO Hex2Cer 34:0;O2 9418215.5870 11107937.9300 10130164.1500 9532695.0590 9706793.2610 11017990.5300 9687819.0350 10227881.6900 9788036.9300 9663148.8190
Hex2Cer(m35:0)-H Hex2Cer 35:0;O* 158751538.3000 168075803.4000 166214681 161315898.9000 155960921.4000 143971896.6000 119492818.5000 126662257 133156662.7000 108195240.5000
Hex2Cer(m35:1)-H Hex2Cer 35:1;O* 1005043306 1016955013 1015944013 1017391120 961499707.4000 868215364.2000 717956116.7000 731761466.3000 793406971.4000 688368934.6000
Hex2Cer(m36:0)-H Hex2Cer 36:0;O* 15161786.4300 17468045.2900 18825974.7300 14543334.8100 13223888.8000 11069297.2000 11130747.7500 15882775.0300 13631593.5000 14528504.8600
Hex2Cer(m36:2)-H Hex2Cer 36:2;O* 21181983.0700 21357371.1400 16332044.4800 17015242.4100 19867436.5200 18096697.0600 14121704.3400 13409473.9000 17459292.3100 10675853.5700
Hex2Cer(m37:0)-H Hex2Cer 37:0;O* 57974518.8700 62683598.9300 62385979.3100 61347477.7000 56917295.8400 54030588.7000 45160530.7600 45269947.1500 50112673 39740761.2200
Hex2Cer(m37:1)-H Hex2Cer 37:1;O* 158083182.5000 165282925.8000 166039892.1000 159300029.6000 148776102.4000 134374939.9000 114661540.8000 107928255 125993146 101175892.5000
Hex2Cer(m37:2)-H Hex2Cer 37:2;O* 96530519.6900 93890990.1900 102904859.6000 99884150.2000 91454639.2000 63657270.1300 52566167.3900 50466947.5400 58198181.3800 48525665.2800
Hex2Cer(m38:0)-H Hex2Cer 38:0;O* 1287941.4210 1221005.4730 1368855.2490 1346235.3380 1342527.5270 1077939.7310 988016.4715 733548.8530 893437.2931 926007.7575
Hex2Cer(m38:2)-H Hex2Cer 38:2;O* 5802437.9790 5992794.8050 6559485.5010 5808831.7170 4860009.2450 4462750.2990 4010049.2020 2760513.2320 4784457.5800 3092936.7240
Hex2Cer(m39:1)-H Hex2Cer 39:1;O* 67306534.2100 91895121.1700 77149023.0200 89067742.8400 66017048.6700 66779721.2600 73452407.0800 52038088.5300 64841792.3200 54701029.3700
Hex2Cer(m39:3)-H Hex2Cer 39:3;O* 12229394.0900 13492370.1700 12609870.4600 12200423.9600 12400873.1500 17045917.5000 16003754.2900 15389418.9700 17294615.8100 14471556.7300
Hex2Cer(m39:4)-H Hex2Cer 39:4;O* 4942192.5160 4939484.3620 4904830.5960 4745397.3820 4445558.4280 6401143.5920 5208930.1200 4625758.7690 6205268.2970 5434588.8570
Hex2Cer(m40:0+O)+HCOO Hex2Cer 40:0;O2 9937342.1000 10073601.3400 10096739.4400 9252479.7060 8708191.6590 9235618.4460 7414206.9830 9938919.7150 8085433.3210 7445875.8390
Hex2Cer(m40:2)-H Hex2Cer 40:2;O* 3881769.1540 3935131.1700 3845948.5090 4065685.7750 3523503.4630 4151059.8210 3290657.1190 4727377.1530 3985333.1500 3435400.6720
Hex2Cer(m40:3)-H Hex2Cer 40:3;O* 2617807.6030 3401530.3920 3076027.5670 3174357.3420 2551776.4310 2871314.5630 3129540.5950 3224956.3210 2839686.1560 2735408.9450
Hex2Cer(m40:4)-H Hex2Cer 40:4;O* 32421818.4600 32372825.2000 30288846.2600 31058096.9300 31369981.7800 46427624.3200 49266150.8200 45465384.1400 48872661.9500 47719909.6700
Hex2Cer(m41:0)+HCOO Hex2Cer 41:0;O* 2079933.2450 1705188.6740 1634207.1360 1401601.2110 1730051.0050 2478870.7150 1650609.5550 1867874.7130 2115270.0560 1756415.3770
Hex2Cer(m41:0+O)+HCOO Hex2Cer 41:0;O2 1805773.9170 1923511.2270 1804085.4530 1742304.4510 1736462.9410 2072362.8430 1395689.0920 1755671.1860 1810729.1890 1312282.1030
Hex2Cer(m41:1)+HCOO Hex2Cer 41:1;O* 1558262.7340 1552351.3760 1571124.7360 1250528.6110 1284578.9880 2222037.9760 1864304.5710 1704823.3650 1778686.8210 1878888.3160
Hex2Cer(m41:3)-H Hex2Cer 41:3;O* 2233151.2120 2512367.4580 2424319.3810 2370932.4610 2135346.1240 5009941.0830 4138750.5930 3810356.2250 4456116.0110 3711751.1470
Hex2Cer(m41:4)-H Hex2Cer 41:4;O* 1543261.9540 1736761.2930 1508470.7580 1696114.6790 1536652.1380 2724923.1220 2613346.4490 2114822.1220 2783665.9130 2384050.3670
Hex2Cer(m41:5)-H Hex2Cer 41:5;O* 2759204.6530 4203333.7120 4267771.1410 4766859.4590 3778528.1320 4618464.5630 4849079.6630 4295541.1850 5144206.5960 4125754.4270
Hex2Cer(m42:0+O)+HCOO Hex2Cer 42:0;O2 14892759.0100 15035390.5800 14739891.7100 13671521.3200 13683268.2800 17590121.0700 14404302.5000 18724512.5700 15064144.6100 14227114.9200
Hex2Cer(m42:3)-H Hex2Cer 42:3;O* 7325602.7070 6778152.2610 6261198.8660 6184357.4200 6269010.5590 9072440.0900 6744426.0810 6762551.5690 7178654.9620 5714797.3770
Hex2Cer(m42:4)-H Hex2Cer 42:4;O* 3095915.1300 3161381.6990 3046047.2920 2945166.1640 3043095.8620 4037134.3000 3634483.4630 3234288.8520 4007773.2410 3809894.8950
Hex2Cer(m42:5)+HCOO Hex2Cer 42:5;O* 1297211.8480 1353424.0900 1130483.1750 1187537.1900 1225045.2910 1255942.4890 1136846.1670 1566679.0710 1275745.5650 1174658.3690
Hex2Cer(m42:6)+HCOO Hex2Cer 42:6;O* 13479754.9000 15016916.8200 14599630.1000 15363944.8400 14652962.7200 17987956.1000 18043869.4600 17545769.6700 17350083.1600 18757197.4500
Hex2Cer(m43:6)+HCOO Hex2Cer 43:6;O* 1424593.5240 1330083.1000 1233216.8000 1263466.5040 1302631.2390 2043641.6630 1597051.2110 1509407.9230 1852179.7830 1454580.3910
Hex2Cer(m44:7)+HCOO Hex2Cer 44:7;O* 590660.6078 684012.0054 573930.9779 723418.0052 883012.3916 990780.7289 920739.5894 554790.3075 725005.5700 877317.4050
Hex2Cer(t33:1)-H Hex2Cer 33:1;O3* 9920908.4390 10634237.3100 10233398.5600 10885813.8600 10353921.7200 22172307.7200 14769456.7700 13386423.5100 19238752.6000 14639813.1800
Hex2Cer(t34:0)+HCOO Hex2Cer 34:0;O3 1820266.6440 2482527.0810 2217516.2470 1973895.3410 2022813.5180 2689530.6700 2745250.1780 1997677.4480 2732763.9660 2140126.5720
Hex2Cer(t34:1)-H Hex2Cer 34:1;O3 4514410.5560 5430331.8140 5259279.2450 5137276.8320 4505251.0650 9068870.0990 7458240.2660 7960442.3380 7932791.5600 7576745.4010
Hex2Cer(t34:2+2O)+HCOO Hex2Cer 34:2;O3 2845563.5360 2880095.4580 2811708.3450 3192083.8670 3270461.0890 3470196.5760 4791401.2470 4817560.5310 3889011.0160 4153703.3120
Hex2Cer(t34:2)+HCOO Hex2Cer 34:2;O3 1330016.6560 1622162.4470 1657241.8280 1527845.6430 1262557.4080 2603863.1080 2171743.1870 2451103.0140 2651608.8890 1942736.1540
Hex2Cer(t40:0)+HCOO Hex2Cer 40:0;O3* 1453149.2870 1489861.1890 1449644.6310 1677469.8350 1308905.7800 2229937.7600 1512308.1670 1613218.1050 1521670.6390 1416161.0430
Hex2Cer(t42:0)-H Hex2Cer 42:0;O3* 8927274.0820 8125530.2080 7625198.4060 7001500.7080 7737461.8300 11680618.1400 8495520.0300 8920578.6990 9600361.8940 8479580.8170
Hex2Cer(t42:1)-H Hex2Cer 42:1;O3 7636535.5000 8023233.6650 7260802.5150 7124473.6460 6800855.1400 10189217.6600 8888728.4150 7991041.6590 8852171.3130 8511969.0490
Hex2Cer(t43:5)-H Hex2Cer 43:5;O3* 1177614.0070 1352721.6180 1125606.6650 1187508.8990 1224826.5890 1255681.2180 1107515.0730 1566369.6770 1252915.0340 1174580.8470
Hex2Cer(t43:7)-H Hex2Cer 43:7;O3* 781311.6053 779549.7980 6160759.2930 6310132.1960 6671234.9060 1182168.0460 1500488.5140 1404905.2980 1523593.0550 1649753.4390
Hex3Cer(d18:1_22:0)-H Hex3Cer 18:1;O2/22:0 69787305.8300 58691937.1400 55701942.7100 49334265.0500 55314955.9700 153940987.7000 135272084.5000 151230469.5000 140366444.8000 139416311.6000
Hex3Cer(d18:1_24:0)-H Hex3Cer 18:1;O2/24:0 278973011.4000 232922118.7000 220057105.3000 200461792.4000 221016663.9000 676519261.9000 570580003.5000 651410447.6000 636265362 592550022.2000
Hex3Cer(d18:1_24:1)-H Hex3Cer 18:1;O2/24:1 194899661.8000 160411796 157965105 143253068.6000 155866913.4000 525089218.5000 435428977.5000 457320187.3000 476586670.6000 454970279.1000
Hex3Cer(d32:1)+HCOO Hex3Cer 32:1;O2* 4743102.4480 4389829.7340 3946698.3250 3761041.0840 3745405.2220 12656202.6000 9908867.1930 10399461.4100 12149398.8600 10310862.1400
Hex3Cer(d32:3)-H Hex3Cer 32:3;O2* 743517.4452 826289.8632 944227.6736 786037.2739 905467.6529 920397.9377 654637.5922 732262.5955 789104.6723 759012.9747
Hex3Cer(d33:1)-H Hex3Cer 33:1;O2* 2026333.4580 2367823.7470 2550564.2620 2345971.9910 2112297.1310 2521879.1190 2708483.0340 2443906.0280 2571695.3650 2649319.7330
Hex3Cer(d33:1)+HCOO Hex3Cer 33:1;O2* 2648136.9730 2237109.7970 2509033.4160 2420622.8740 2366290.2750 6670238.0940 5382987.2850 6118745.3900 6114467.6320 5639695.8030
Hex3Cer(d34:1)-H Hex3Cer 34:1;O2 145415838.7000 133402887.2000 126713810.4000 109828421.2000 121810067.2000 388046111.2000 322774396.1000 340303014.6000 362457709.3000 335606095.9000
Hex3Cer(d34:1+O)+HCOO Hex3Cer 34:1;O3 5328310.7430 5454954.5310 4900272.1860 4175682.4960 4754684.4110 13660705.3100 12014688.9400 13601131.3400 12834703.2400 12903424.2900
Hex3Cer(d34:2)+HCOO Hex3Cer 34:2;O2* 3916130.5250 4213363.2400 4382609.1490 3556512.1190 3814379.8250 16586748.1000 10902823.1800 12093048.4100 13196367.2100 12171352.8700
Hex3Cer(d35:1)+HCOO Hex3Cer 35:1;O2* 277114.5939 453950.6097 183257.7273 205637.3607 125514.0922 1774897.0220 1168127.3560 1168951.1820 1242265.3890 966500.2799
Hex3Cer(d36:1)+HCOO Hex3Cer 36:1;O2* 6910483.5320 6573009.7610 6186443.2670 5726388.5440 5914531.5000 14942348.1700 12864226.1300 13823383.8900 13108402.0100 13495661.8300
Hex3Cer(d36:4)+HCOO Hex3Cer 36:4;O2* 1056940.8630 1041500.3440 1006258.8990 1174776.6450 1064296.5330 2356247.7230 2621298.0080 2756941.2740 2492061.9930 2820436.6920
Hex3Cer(d37:4+2O)+HCOO Hex3Cer 37:4;O4* 11972798.6500 10755405.5800 9992537.2250 9849102.5380 10772034.1900 24680779.8400 24456700.2900 27471785.1100 23567200.7600 25037522.5800
Hex3Cer(d38:1)+HCOO Hex3Cer 38:1;O2 4073205.9180 3743534.7900 3324364.0840 3123990.9970 3113532.8180 7344801.5630 6435478.6770 7058597.6520 7328635.6900 6784399.4260
Hex3Cer(d39:1)+HCOO Hex3Cer 39:1;O2* 1046593.9120 959490.2551 1025344.7650 788225.4335 699260.0297 2001596.7960 2178000.5120 2383175.4060 2523479.6350 2427102.4320
Hex3Cer(d40:2)+HCOO Hex3Cer 40:2;O2 5704002.7040 4943129.5450 4326497.6760 3960803.1480 4793320.5280 11453502.8800 10389795.5500 10460199.5000 11702456.1200 9983515.7770
Hex3Cer(d41:1)-H Hex3Cer 41:1;O2 23258542.0900 19903224.7400 19610303.3100 16857727.8600 18522001.3100 57141092.1200 49619595.4200 55485841.7500 53144097.6400 49329779.0800
Hex3Cer(d41:2)+HCOO Hex3Cer 41:2;O2* 7342773.1880 6160471.4470 6068972.5850 5545857.7260 5429130.8170 18447413.3600 17043091.0200 16957689.7400 16915904.7300 17258127.6200
Hex3Cer(d42:1)+HCOO Hex3Cer 42:1;O2 6284075.0020 6417108.3040 4061612.4520 4017233.7120 4429827.0260 8807510.5380 7912905.3480 13191279.7700 7702341.6080 9599557.9790
Hex3Cer(d42:1+O)+HCOO Hex3Cer 42:1;O3* 3180989.1090 3074367.0950 2530213.5810 2553369.9610 2566069.8780 7350250.8670 6358093.5810 6637560.2890 6418352.4680 6664238.7540
Hex3Cer(d42:3)+HCOO Hex3Cer 42:3;O2* 7287694.8330 5960100.6130 5305382.2450 5283688.2930 5747749.7450 21452460.3600 16218437.0300 18918488.1700 18186668.5400 13190960.5100
Hex3Cer(d43:1)+HCOO Hex3Cer 43:1;O2* 2393800.1870 2001138.7060 2198961.2810 1783799.2430 1919872.5860 7994849.5740 7472964.7390 8424982.3800 8117403.7320 7922788.1350
Hex3Cer(d43:2)+HCOO Hex3Cer 43:2;O2* 4091295.7970 3430767.6970 3543846.7740 3260365.4880 3099188.6450 13452356.9600 10302799.9900 12124935.6400 11409010.6700 11450037.0800
Hex3Cer(d44:1)+HCOO Hex3Cer 44:1;O2* 10725924.2700 8528661.0780 8074037.7900 7243999.1560 7806557.2670 20207924.5500 17234792.7000 20104210.9500 19149962.5100 17795754.0600
Hex3Cer(d44:2)-H Hex3Cer 44:2;O2* 13450360.0200 11797907.7200 11029344.5300 9892033.9470 10893852.2200 30537823.4800 27164142.0400 26265804.5300 30715198.5200 28864322.0200
Hex3Cer(d44:3)+HCOO Hex3Cer 44:3;O2* 1632547.2090 1129674.5120 1050032.1660 1256136.2780 1151320.3790 4133364.2550 3792132.5550 3751115.5460 4033122.6180 4234660.2220
Hex3Cer(d44:4)+HCOO Hex3Cer 44:4;O2* 3719431.2760 3126091.0840 2985483.2890 2827165.7020 3025463.0890 6338411.0580 6565231.4810 6823353.9650 6121587.2390 6772379.1290
Hex3Cer(d44:5)+HCOO Hex3Cer 44:5;O2* 1216114.5320 934980.7272 892226.8648 940609.2542 720025.2367 2121599.2430 3024169.9080 3090080.0210 2788320.8810 3632067.7940
Hex3Cer(m34:0+O)+HCOO Hex3Cer 34:0;O2* 3207366.0710 3190964.0450 2855392.7750 2622130.2850 3343067.1650 5870395.5720 5575067.9100 6877568.2950 5396493.9870 6551648.1350
Hex3Cer(m38:3)-H Hex3Cer 38:3;O* 1883149.4760 2490189.8840 2246060.1870 2298419.7840 2204700.8190 2324411.2590 2879405.8360 3421080.5650 2826478.1030 3293926.9120
Hex3Cer(m40:0+O)+HCOO Hex3Cer 40:0;O2* 4591524.2670 4270384.0970 3697842.6430 3598415.6960 3630043.0570 5981281.6350 5301356.1430 7990333.1880 5765873.2320 6227931.1510
Hex3Cer(m40:3)-H Hex3Cer 40:3;O* 43206945.3400 43661141.9900 41566614.8400 39870509.8400 44596493.8800 59670405.9700 61153492.7900 61871885.1400 57178011.9700 61213402.9200
Hex3Cer(m40:4)-H Hex3Cer 40:4;O* 7204932.8180 6861555.5900 8148361.1070 7970057.1730 7861467.0540 10360541.3100 11280189.8300 10820587.1500 10015787.7500 11658285.6200
Hex3Cer(m41:0+O)+HCOO Hex3Cer 41:0;O2* 942482.2389 735065.9745 612846.9740 559471.2621 690328.9733 1254098.4390 1077593.0510 1606898.8820 1285869.1960 1714171.7730
Hex3Cer(m41:3)-H Hex3Cer 41:3;O* 2099933.3810 1674299.3430 1736873.8780 1689075.4750 2002063.4930 2854427.4380 2343507.4470 2162761.6210 2530241.7820 2223524.8370
Hex3Cer(m42:0+O)+HCOO Hex3Cer 42:0;O2* 4153465.5000 4103681.6110 3725185.9340 4584791.3900 3819487.0440 7055269.4190 7685486.0320 12824164.9300 8379991.6900 8852266.6690
Hex3Cer(m42:3)-H Hex3Cer 42:3;O* 7664020.9330 7620304.0530 7314652.9080 7069831.3610 6601861.5820 9835510.7320 7250237.5780 7664285.9620 8198091.7050 7448403.9350
Hex3Cer(m42:6)+HCOO Hex3Cer 42:6;O* 6889233.0750 6905683.0920 6166862.5160 6449970.2430 7200680.0440 9109457.1300 9291899.1300 10350062.8200 8420557.7840 10018476.9500
Hex3Cer(m44:6)+HCOO Hex3Cer 44:6;O* 2853114.7980 2771798.3060 2646814.5200 2475623.3260 2602286.4130 3568346.9010 2967428.4530 3112707.1810 3099795.5370 2648727.1230
Hex3Cer(t34:0)+HCOO Hex3Cer 34:0;O3* 764464.9815 902190.7923 647544.4958 760736.7128 671614.6668 1881257.9340 1745199.8540 2157280.3850 1850770.5380 1992540.3660
Hex3Cer(t34:1)+HCOO Hex3Cer 34:1;O3 5319476.8780 5353460.0790 4892542.2380 4155223.8030 4749626.1820 13627568.6400 11982976.6500 13595704.3800 12833611.7600 12894140.3500
Hex3Cer(t40:0)+HCOO Hex3Cer 40:0;O3* 11302781.1400 10116217.5100 9691659.7690 9362167.9220 9943676.3120 20701829.8900 23712830.1000 26592710.7200 21378053.5400 24122573.8800
Hex3Cer(t42:0)+HCOO Hex3Cer 42:0;O3* 3389569.6100 2604080.3910 2458114.8660 1981686.2880 2477398.3330 6799851.5460 5934111.1540 7051072.4030 6429147.5540 6237326.6410
Hexsose + hexsose-deoxyhexose + c20h32 1430.7540 1864.3597 1199.6808 1108.1260 1554.7165 2176.4789 2379.9963 1652.3902 2714.0987 1728.1927
His-Cys His-Cys 11308.4804 9189.2533 7356.4808 6673.9812 12370.1493 2742.0204 3208.8781 4228.0558 3164.8383 4587.1557
His-Lys His-Lys 6093.0545 11616.0639 12781.7559 29274.9960 16898.7268 15267.6631 8265.3166 6386.4514 8928.9715 3021.1666
His-Pro His-Pro 6535.1492 10549.4747 44975.8764 1764.1456 2437.7597 101260.9595 421467.1020 36700.6193 38798.5196 55250.8891
Histamine Histamine 13542.1375 18959.5981 19991.3230 45761.2810 30204.9430 45370.9400 21893.5818 55401.4754 47066.4724 25943.3550
Homocitrate Homocitric acid 10263.8900 21991.5652 12944.8024 17625.8049 24162.4662 22887.0142 20757.5028 21441.3420 21504.5342 25360.1338
Hydrangenoside c 2036.6404 1398.3142 2621.7131 3248.0445 2814.4443 1941.7185 3735.5672 1539.7963 1679.0958 2717.9525
Hydroquinidine 546560.5299 745565.5830 554119.1384 614088.3594 519804.1220 1144266.2540 616936.7264 908102.9178 439472.9925 664378.4732
Hydroxyhydroquinone 1,2,4-Trihydroxybenzene 1301.5357 1216.2927 744.6501 1413.7075 1261.6506 1591.5004 1193.4685 1556.5316 1210.6073 1087.7991
Hydroxyphenyllactic acid Hydroxyphenyllactic acid 493423.0595 530939.4587 565734.3087 380788.0500 383107.9517 1141314.5430 1075906.7840 823347.2408 867634.9759 865555.8483
Hymeglusin 4310.0663 4182.2128 5302.6309 8419.1340 3627.8116 8558.3217 6013.3655 7143.0991 11736.3685 7436.9626
Hypericin Hypericin 18618.5046 18613.5434 12086.6848 17713.4144 15090.3125 44525.0874 72798.0739 84306.7376 97049.2278 69328.4096
Ile-Asp Ile-Asp 319.7080 1311.0131 5234.8543 9099.4060 7486.1204 16688.7454 22105.9441 1510.4284 2169.1745 1633.0552
Ile-Ile Ile-Ile 9120.2557 9565.4498 6164.5752 9856.8194 9751.3178 10966.2918 27721.6603 18829.0663 16953.6855 20229.6131
Indole-3-acetyl-l-alanine 5284.2919 2538.0851 12580.4171 11200.0234 409.2767 11299.6562 17487.1013 14336.0200 17022.5729 13402.6310
Indole-3-pyruvic acid Indolepyruvate 77304.1398 56036.6018 34571.3496 132534.0013 110805.0698 9945.5496 31700.7054 70001.7359 75504.6074 71503.1802
Indolelactic acid Indolelactic acid 597313.1124 1121110.8190 630527.6007 331974.1442 973797.9681 1105811.4350 1978800.1300 1495541.6180 1296660.0570 1964748.5990
Indoxyl sulfate Indoxyl sulfate 43858.7013 40019.5014 38343.6340 46941.2119 44815.2183 42353.1741 66374.6309 32667.4497 22400.5144 40772.9917
Inosine Inosine 5155490.6210 4955776.4080 4399789.9380 7266302.7680 5401121.4830 1233882.3850 2053265.2540 1837977.6810 2641758.1740 1461137.3820
Inosine 5^-diphosphate IDP 8877.3979 4678.2675 5608.1957 18935.3465 9323.0969 5564.8057 3777.4455 5050.4097 3896.4583 4912.7029
Inosine 5^-monophosphate (IMP) IMP 67744.4831 54090.7729 36157.6662 122410.6793 49348.4483 13417.5466 16185.7674 10509.8501 15956.7519 26064.6006
Inosine 5^-triphosphate ITP 24804.3829 24820.5757 22282.8605 20403.7154 24349.9017 15716.9868 16837.4271 16261.6985 19553.1803 14831.8743
Inosine triphosphate ITP 5697.9537 5033.8829 5225.8165 6084.9161 3245.6588 6203.5232 4250.0070 4649.7052 5940.8593 4072.7244
Isoanhydroicaritin 550439.3564 620728.5021 706253.3787 566419.1371 551635.3164 805856.7927 699028.3044 569309.4464 645347.8973 569262.3064
Isobutyrylglycine Isobutyrylglycine 18406.2434 22420.8137 20550.2839 12167.6402 20103.2257 15399.0815 22241.8032 22205.8968 24882.8711 24956.4256
Isomaltose Isomaltose 7574.6365 8467.0066 6014.1295 5605.0120 11756.4945 4559.8311 7389.1231 5337.9275 5422.6215 5383.1072
Isopentenyl pyrophosphate Isopentenyl-diphosphate 30333.8290 28307.7462 23364.9890 27537.5145 26819.7318 4743.3243 13870.4114 32880.9190 34577.6577 25504.3996
Jasplakinolide 3610.1243 4601.2819 3231.5630 3422.6989 3440.4803 2275.0622 2255.6888 2405.4651 2587.8328 2546.9639
ketoisocaproic acid 12216471.2700 12349915.3500 23964017.0500 11496122.2700 10643556.2800 6051513.6490 7094359.6570 4666545.2080 10780362.2700 5909769.2190
Kukoamine a 8727.2144 15547.2392 8947.9638 12270.8372 10155.7490 8247.4065 10165.5411 10683.3727 8623.0122 5149.1675
L-alaninamide_ n-[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-3-(2-naphthalenyl)-l-alanyl- 1121.6200 997.9060 1219.2571 1435.5445 1137.8791 2363.9602 8218.4217 2405.2842 1809.2486 1098.4520
L-Aspartate Aspartic acid 1459.6103 2739.2995 983.8389 1900.1959 1958.0527 1186.2155 2745.4005 1725.4830 1879.2128 2316.0452
Lauroyl-coa Lauroyl-CoA 695.2510 506.4546 512.7222 661.7118 635.8785 332.6424 712.5592 618.4158 652.9525 434.6750
L-citrulline Citrulline 49452.7096 53154.9675 39159.3213 44583.9322 44824.3840 38861.5713 31338.8081 40337.7896 39093.8828 42829.3969
L-cysteine-glutathione disulfide Cysteine-glutathione disulfide 1186891.6830 1078821.4610 994125.7650 1221418.7530 916225.3131 1219787.5090 752304.5276 1158762.8660 1092202.1680 1606206.4410
L-dihydroorotate Dihydroorotic acid 625391.0028 647661.7304 547736.5252 669231.7436 689382.5541 400474.4383 559635.9766 529494.7927 557404.4681 571244.6146
Leucine Leucine 14806914.2200 15220631.8400 6950395.4320 15483207.3200 14496535.7400 8617583.1130 8922232.8470 11069928.6300 11486800.9600 11476752.1400
Leukotriene f4 2544.2432 1877.3629 2236.3901 2269.6116 2309.0093 2766.7948 3607.5620 2050.3573 1440.2791 1051.3503
Leu-Phe Leu-Phe 3451.7042 3982.9495 2721.9855 3488.7164 2931.9890 5526.3462 11683.4255 8700.0798 7193.9444 10289.3016
L-fucose-1-phosphate Fucose 1-phosphate 1058228.0420 1152637.5440 1120032.9520 1081278.7310 699772.3403 1320897.6300 1633697.0110 1161696.8800 1038204.5800 1165842.0720
L-glutathione_ reduced 15074.7756 19019.5385 39222.8997 18411.6632 14430.9258 17323.4837 8749.5356 8648.1841 8137.5738 13953.8854
L-gulono-1_4-lactone 1607026.9590 1497919.4240 1213193.8200 1360870.2880 1331704.2590 470087.5000 648160.9474 613327.8928 709461.9077 760094.9609
L-Histidinol phosphate L-Histidinol phosphate 82159.8808 79622.9325 80766.5285 123552.9666 86021.0175 81438.6118 134217.6518 128296.0255 129254.3325 136718.2145
L-homocitrulline Homocitrulline 4319.6287 5565.5050 3481.0070 6297.9195 7360.8475 6378.8757 9551.1867 8089.1529 12399.3189 13570.3266
L-homocysteic acid Homocysteic acid 15645.1265 11211.1371 17321.3049 19951.6425 9671.4523 17414.4335 27599.2143 13899.0971 20209.5436 15877.4489
L-iditol L-Iditol 1110644.9340 1227537.8450 487887.8680 803391.4535 870340.8610 973258.9346 385320.9578 900998.1805 969201.1301 983874.2553
Linoleoylglycine 24435.0502 57997.2628 31722.0641 22748.3688 49601.0983 23363.7689 62226.3162 40306.2451 116308.5975 43348.1312
L-Lysine Lysine 301840.6135 285965.8799 204704.2994 282335.9680 272323.8066 191840.6712 279760.4302 63416.0726 318281.7430 308208.3919
L-Malic acid Malic acid 53178.1022 64986.3625 62553.0872 73589.3004 45037.4799 63695.2340 79180.0249 68809.3088 77446.9674 63583.5841
Lonicerin 2545.1190 2156.8359 2245.9014 1143.2194 1679.2737 2161.6994 2175.9226 2208.0310 2827.0356 2441.3342
LPC(14:0)+HCOO LPC 14:0 4852424.7920 3798900.5370 4705688.0940 4141820.6190 6727923.6410 8212613.5850 8816615.9070 7486613.8120 7676961.2780 8684146.7680
LPC(14:1e)+HCOO LPC O-14:1 637439.2349 733904.7821 791859.1649 801559.2289 913552.7159 900150.3441 541598.9349 533097.8091 811671.7493 647898.6480
LPC(15:0)+HCOO LPC 15:0 2612860.1710 1699525.4180 2178885.8710 1855669.2150 2666229.7000 3546517.4900 3494235.7850 2661884.2580 3205723.9920 3281970.5490
LPC(16:0e)+HCOO LPC O-16:0 5974946.3900 4380542.0050 5331138.8020 4329035.9980 11812535.9800 6418393.0690 5034885.2100 4252310.3620 3547506.0260 5635498.6860
LPC(16:0)+HCOO LPC 16:0 110937744.5000 79247342.4100 97700368.3800 85412618.8700 143231817 212443075.4000 178174770.5000 170255876.1000 166274361.5000 181737850.1000
LPC(16:1e)+HCOO LPC O-16:1 23567999.8200 21372833.1600 25386520.3500 22278441.7600 27669869.8800 33210106.6100 26492656.4400 26048028.5700 22593634.3800 23726952.4900
LPC(16:1)+HCOO LPC 16:1 38377811.3900 26011267.8300 28862124.1500 22750993.6600 34941146.2800 64500718.8300 60719202.5400 49457228.0100 57113950.0700 49531653.9000
LPC(17:0)+HCOO LPC 17:0 4470974.5530 2401396.1740 5360232.3880 2634440.7920 6199857.4330 7254856.2970 7019697.5630 5408506.1800 7051930.3570 2910060.5700
LPC(17:1)+HCOO LPC 17:1 5857239.2390 3343067.9390 4252077.5460 3615514.6160 4670961.3460 9502027.5500 8315909.6720 7235754.3460 7805853.5840 6770739.5240
LPC(18:0e)+HCOO LPC O-18:0 1675667.9520 862095.9160 1732069.6060 1405809.8650 3177057.7990 1668595.4770 1346849.7470 1274473.6290 1035359.8070 1523201.7400
LPC(18:0)+HCOO LPC 18:0 30566109.6900 24557990.1600 27834276.2400 24531131.3500 32409664.9200 55499646.2300 38424736.4200 33752630.7100 48935378.6100 44495424.2600
LPC(18:1e)+HCOO LPC O-18:1 5281912.3480 3195685.5290 5472146.0930 5365481.7300 9745343.9440 6232254.9900 5274918.0010 4655437.8990 3438108.8340 5189822.8870
LPC(18:1)+HCOO LPC 18:1 48953643.6700 134327017 40475055.9700 128899322.3000 52531345.5600 306423100.8000 271260003.3000 236078970.3000 246366010.1000 201604387.3000
LPC(18:2e)+HCOO LPC O-18:2 9462113.2830 9779208.7390 9011205.9290 8009675.0800 9550441.5080 12722479.3000 9018674.0750 9021930.8700 9207604.1850 8165335.1280
LPC(18:2)+HCOO LPC 18:2 13874281.1900 8449467.4000 9542905.1670 8216297.2260 11877862.5000 19672074.2300 19442283.9000 16048125.7600 18076854.7100 14904845.0200
LPC(18:3)+HCOO LPC 18:3 298404.0847 288430.3422 232859.3004 258672.6762 432175.4860 784276.5693 623316.2254 555562.0759 873280.7214 623941.3183
LPC(19:0)+HCOO LPC 19:0 340073.8422 276193.8447 306724.5061 229850.0547 404280.3925 759848.6710 443551.7848 411461.7016 614294.0884 447779.5323
LPC(19:1)+HCOO LPC 19:1 1884952.9460 1410849.2570 1592771.1580 1272816.0530 1742043.6200 2096082.2380 1973902.9880 1508052.2640 1334068.5140 1700547.6830
LPC(20:0)+HCOO LPC 20:0 1764229.6480 1639127.0070 1619263.6920 1557822.5230 1662564.7620 2206330.3450 1657387.7380 1763837.0810 2040154.4820 1612196.3320
LPC(20:1e)+HCOO LPC O-20:1 1563084.4900 1576766.3130 1633241.5050 1361075.1830 1391505.3760 1816566.5940 1130643.7860 1194376.0110 1563754.7970 1160587.4070
LPC(20:1)+HCOO LPC 20:1 23631603.8700 3907050.0620 14187.8080 137083.9871 27604254.6000 6030705.5150 13355995.0800 6485204.9870
LPC(20:2)+HCOO LPC 20:2 3573036.9750 2779951.5410 2791792.7270 2352597.9290 2941374.5680 3242181.7260 3117380.0060 2302541.8370 2896561.4790 2539757.5980
LPC(20:3)+HCOO LPC 20:3 7529386.4440 6219493.5780 5692089.4660 4786398.5050 7061088.3500 11125343.2300 8909251.8020 6908304.7380 11278019.6600 9280985.3610
LPC(20:4)+HCOO LPC 20:4 11200528.7800 6270938.4360 7896189.9620 6674088.9440 11897705.3600 23402422.2700 17992353.9000 14513647.9200 22511814.1600 21120301.2800
LPC(20:5)+HCOO LPC 20:5 14211965.7100 665347.1865 854892.3096 782372.8247 1381567.9270 2316025.9240 2303262.1610 12513074.8200 2908656.6320 2947973.8560
LPC(22:0)+HCOO LPC 22:0 1295377.4440 1268671.0350 1363787.0150 1145684.1450 1233866.3210 1654927.3160 1032165.9710 1153871.3400 1629642.3670 1247475.8430
LPC(22:1)+HCOO LPC 22:1 1846362.5220 921512.3266 1867582.4780 1565539.7180 1593952.4100 1812094.2390 1256800.2010 1184299.5990 1329139.3900 1223022.9080
LPC(22:2)+HCOO LPC 22:2 1438348.1620 937929.4943 779971.6227 666729.3827 767743.7850 692194.1594 549127.2875 240455.2870 504543.0248 282280.7306
LPC(22:4)+HCOO LPC 22:4 1045936.6780 530491.5888 509294.1517 399137.0162 977713.0873 1747917.9210 1150476.3250 1214226.0280 1267418.7450 954120.3184
LPC(22:5)+HCOO LPC 22:5 7790846.2320 4778001.8950 5701542.3170 4853749.4460 8745952.8210 17523434.8000 12945910.2100 9359583.8640 18497404.5700 16608503.9700
LPC(22:6)+HCOO LPC 22:6 23952885.5100 16953868.4300 18037842.0100 14735360.1600 19351341.7400 42865963.2700 33071358.0800 25962234.0800 46056768.5500 36274188.4800
LPC(24:0)+HCOO LPC 24:0 6455262.9670 7522338.5870 6864891.6850 6501710.5300 6648573.4140 8636503.3770 5973755.1100 6732936.1730 7701708 5641839.5860
LPC(24:1)+HCOO LPC 24:1 5341280.7610 5221649.1000 5695655.6340 4866349.2930 4037234.9890 6304296.7070 4772976.6510 3928760.9870 5317741.7280 4216944.4560
LPC(24:2)+HCOO LPC 24:2 642419.7489 512382.9769 616326.8938 429350.1321 613895.5469 632748.1592 373520.7186 91096.0574 417788.0557 408409.6749
LPC(26:0)+HCOO LPC 26:0 1840083.6070 1763083.3510 2131753.9210 1892043.5620 1882238.5660 2322741.6380 2278419.5180 2296069.8450 2498012.0640 2112076.7910
LPC(26:1)+HCOO LPC 26:1 3578733.4220 3341095.9880 3557446.6220 2916360.5100 3093289.4200 5082120.5450 3620013.8510 3293882.5910 4849558.1610 3519124.5030
LPE(16:0)-H LPE 16:0 19469003.4800 12461295.9100 15828137.1300 14533822.0100 21171686.8800 35593954.6100 29698950.8500 32171211.4200 27779843.6700 31096995.9800
LPE(16:1e)-H LPE O-16:1 84550407.7500 71762915.9200 92397038.7000 86067701.4500 100162723.9000 92112682.9400 69816464.2000 68892127.1600 60853393.1400 66488928.1500
LPE(16:1)-H LPE 16:1 7518150.4390 3915965.2510 5531422.2900 4219803.9180 7243614.2440 12165945.9300 10937684.4600 9859928.6500 9860779.8070 10013394.8700
LPE(17:0)-H LPE 17:0 1391217.2610 1187918.5170 882683.9476 1118420.5920 2014811.4440 1944005.7970 1661371.5100 1290336.8060 1425615.5850 1643802.9010
LPE(17:1)-H LPE 17:1 1253645.7890 653724.6598 1126232.1380 981263.5555 1099387.4780 2379054.2350 2236103.4840 1818358.1180 1825245.8520 1950915.6050
LPE(18:0)-H LPE 18:0 42823877.7400 42693754.1200 41748208.1500 38803789.2800 41393599.2400 62176542.2900 44225428.1500 45979234.0900 44930054.7400 44470682.1200
LPE(18:1e)-H LPE O-18:1 31005708.4700 29968886.6300 35185351.2400 30888728.7400 33120025.1800 32221448.0500 25876448.3600 26945558.6900 25909447.3100 24413403.3300
LPE(18:1)-H LPE 18:1 64592306.5900 41499764.9600 46260572.9100 42968360.0900 60067590.3500 91486679.2900 73563536.9400 76350922.9600 75112966.5300 64484113.1200
LPE(18:2e)-H LPE O-18:2 24752274.0600 24891430.6200 26505280.2300 23491341.1800 23250300.8300 24279780.3700 18843077.1400 19004365.2600 18437794.2200 17736169.4200
LPE(18:2)-H LPE 18:2 4017471.5100 2623053.0810 2976284.3820 2627260.6760 3237047.4400 6091877.1940 4861866.7790 4507964.8780 4615829.4330 3851953.9840
LPE(19:0)-H LPE 19:0 289343.8513 246650.4936 532171.2565 243180.0083 563013.6945 813802.5234 156288.1349 232557.7848 499510.9690 180953.1179
LPE(19:1)-H LPE 19:1 756100.6412 625320.2510 662101.3124 546637.9229 616157.5185 1195555.1340 717405.3614 520606.2583 766548.8891 665976.4912
LPE(20:0)-H LPE 20:0 644794.8115 586460.6655 630452.8090 528082.1751 491428.9052 803351.7111 548594.7779 550040.6302 556728.9924 456020.4043
LPE(20:1)-H LPE 20:1 3259612.8370 326824.9523 233749.8838 347551.7973 249140.4487 587032.6473 211996.2958 171469.7889 1358783.9260 1324839.4470
LPE(20:2)-H LPE 20:2 2471911.6240 1753961.7140 1819083.4300 1334062.1610 1877466.3980 1960007.4940 1245526.1660 1442267.1000 1353483.8990 1202536.5710
LPE(20:3)-H LPE 20:3 7750674.6070 5672308.6050 6145765.8110 5503423.9630 6605888.5630 7069594.5420 6209236.7200 5940442.6230 5881088.6170 5418607.9390
LPE(20:4)-H LPE 20:4 30054701.3900 20226183.2700 21984673.0600 19730951.5300 24089527.5100 35953907.3100 30302880.6400 28941747.2400 29175154.2900 27012005.2400
LPE(20:5)-H LPE 20:5 2710692.4030 1697407.9260 2062415.9930 1794357.0610 2511088.2710 3389736.8630 3152259.9880 3102946.8450 3155806.1320 2975861.3310
LPE(22:0)-H LPE 22:0 847534.3513 854905.6289 887523.5393 663744.9550 717986.5482 1310793.4010 648329.5905 964702.1129 790309.2883 757425.4369
LPE(22:1)-H LPE 22:1 593864.5745 320484.9068 387438.5046 600332.3585 359904.5068 620975.6504 553334.2129 425011.1213 426633.3223 254703.6780
LPE(22:2)-H LPE 22:2 955004.4691 817096.1311 931330.2391 847015.3391 664657.7565 575896.8168 372893.1204 299221.6452 119346.5540 270977.8426
LPE(22:4)-H LPE 22:4 2185525.7620 1612922.0050 1592199.3930 1457441.9710 1663135.2230 2882452.3340 2114462.1650 1467302.9500 1531709.3110 1795359.6160
LPE(22:5)-H LPE 22:5 12586701.0800 8977919.8140 4001381.1800 3347283.2080 9270205.0220 13112802.4500 12072159.3500 7374722.4340 7747591.5180 7861135.7860
LPE(22:6)-H LPE 22:6 59891158.4500 46937919.6300 48942630.4800 38580526.3900 42250457.5400 68402328.9100 54603911.1000 52090100.7100 58708791.2200 50744681.3400
LPE(24:0)-H LPE 24:0 601080.7959 920363.1943 846561.5823 916632.5996 710866.1952 1078307.8490 1097284.2280 871737.6235 858150.3529 1098009.5570
LPE(24:1)-H LPE 24:1 924125.0788 871544.6330 891703.0829 762736.2414 766657.3227 1430995.7180 742400.0761 614296.7911 925675.8741 550109.0970
LPG(16:0)-H LPG 16:0 502540.9005 369759.3304 496765.8231 432700.0772 655197.0925 1349173.3380 793252.0219 968338.5823 1064659.8850 981470.2549
LPG(16:1)-H LPG 16:1 140642.4949 196030.1361 268221.8181 244759.5997 347407.7237 550377.2680 574848.1994 471079.2301 520540.9054 662074.5225
LPG(18:0)-H LPG 18:0 735958.6480 428348.9413 560779.2329 698298.8304 615483.1682 1106206.3620 737746.1967 692034.7499 705483.8716 602446.6781
LPG(18:1)-H LPG 18:1 3752977.7520 3599533.6740 4268552.0710 4367820.6490 4180170.2220 10320295.3400 7938408.8800 6824653.4790 9001648.5110 8316954.4680
LPG(18:2)-H LPG 18:2 93044.1837 112148.7710 199700.1124 192720.9285 158456.7544 605156.0501 473106.6348 350606.9260 370474.4284 561027.5914
LPG(22:6)-H LPG 22:6 626611.2407 612336.8779 636641.7033 672831.8486 579527.9978 1873460.2820 1440757.9770 1403018.0850 1804854.2710 1625456.9210
LPI(16:0)-H LPI 16:0 1032077.8430 1139556.4440 1459499.8360 827683.7288 1527810.5240 1690917.3790 2285002.2530 2589460.6480 2160571.3770 2655057.0380
LPI(18:0)-H LPI 18:0 10117280.7600 13551851.2100 16665793.3200 8948207.1820 15680978.0400 15872591.3600 21323549.7900 24637238.6800 18880478.9100 20328912.7000
LPI(18:1)-H LPI 18:1 5824802.6570 8264429.6960 10186464.9800 5830658.1870 9632031.8750 9525440.2210 12355449.3600 12342373.0300 11715228.7400 12721268.5800
LPI(18:2)-H LPI 18:2 437789.9298 581702.8719 731697.8066 342982.6907 716247.9214 898422.3034 768342.2042 731934.8481 871310.4649 947982.6249
LPI(20:2)-H LPI 20:2 2505238.9140 3112624.6310 4107440.5800 1966612.9610 2895772.4890 2161988.2400 2544293.4340 2466996.4160 3446745.6830 2602186.5920
LPI(20:3)-H LPI 20:3 3389366.1350 4070264.1950 5124449.6870 2689652.0560 4406020.6970 4462763.0570 5401421.2020 4902634.2110 5513299.5940 5745351.9660
LPI(20:4)-H LPI 20:4 1995830.6750 2956961.9970 3192261.9990 1784272.6710 2729728.1440 3403162.0060 4513604.9150 4641041.8090 4021351.7530 4917845.5340
LPI(22:6)-H LPI 22:6 229426.9382 295376.5361 359077.4351 198851.5014 226013.5063 352702.9403 455673.1600 445184.3827 414977.2198 397754.3688
LPS(16:1)-H LPS 16:1 124946.8443 138319.3133 175323.2781 56367.4191 304055.3175 99747.3933 169975.0116 309880.5758 117951.9192 286850.4293
LPS(18:0)-H LPS 18:0 1508623.0990 2054556.9290 2621149.2080 1439402.5640 3599593.1220 1587929.6880 1977606.2030 2580997.7950 1774901.0260 1960560.4130
LPS(18:1)-H LPS 18:1 2357590.3300 2792164.8160 3509892.2760 2763650.7670 3718687.1880 2458409.8390 3799105.0190 4032760.2390 3785708.5000 4166127.9460
LPS(20:4)-H LPS 20:4 1037171.5970 617441.4524 987526.2008 569398.3417 1513994.0220 1336582.2820 1052364.4900 1536588.7800 1098902.8900 1175886.9030
LPS(22:6)-H LPS 22:6 772096.4696 960063.8298 959858.5788 556499.3742 877252.0032 673892.3126 830041.8889 1209375.9990 814463.3825 932546.7137
L-pyroglutamic acid Pyroglutamic acid 345345.3606 390171.7632 458952.2292 314315.9909 342354.4564 2313998.7070 298258.2009 164936.5453 204124.8812 209941.5451
LSM(d20:1)+HCOO LSM 20:1;O2* 1152889.9750 1537463.7740 1638320.7680 1365653.1480 1104657.3010 1086152.8450 994653.8576 777277.7538 1133143.4490 711376.3787
LSM(d20:2)+HCOO LSM 20:2;O2* 382820.4955 382712.1552 371880.8418 370876.1673 463851.3837 665668.8469 354208.0918 404173.5912 608685.3226 348911.9747
L-Sorbose Sorbose 52695.8661 40350.2689 20701.9898 55528.5443 53840.7336 26121.6222 630.7712 26361.1950 33470.1794 32747.7711
L-threonate Threonic acid 235415.3045 219766.6018 217059.7772 166400.0905 172133.5395 448609.5304 334889.1015 410921.6574 458307.5164 229468.2904
Lumazine Lumazine 16888.4327 23393.5364 21661.0501 17653.5617 21014.4490 21628.7208 33245.9713 30893.0595 27540.0768 30293.0414
Luminespib 1657.0532 62.0206 1145.3471 981.1719 1129.3350 6499.4710 2171.3391 213.5668 57.8164 173.6287
L-Valine Valine 1187.6878 1288.5406 1533.9984 1138.6788 962.4656 980.0285 1423.4649 1854.2012 1257.1296 2129.6155
Lys-Glu Lys-Glu 3373.3335 4666.1818 3862.5006 3928.7525 3833.0883 4775.0493 6024.6093 4455.6859 8679.5227 5702.4379
Malate Malic acid 444789.1596 600296.8673 617128.5288 558985.0865 321892.3260 377359.1139 923239.0346 863540.6878 1019536.6100 719729.8661
Maleamic acid Maleamate 827.2831 553.5496 804.6159 630.5156 337.3330 774.7773 678.9749 874.8036 642.4358 862.9900
Malonyl coenzyme a (malonyl-coa) 1989.9231 1869.8443 1555.8304 1414.8511 2009.4823 1168.6626 1775.9157 1591.1448 1293.9144 1493.3026
Mandipropamid 49741.0638 48583.8849 45306.0808 49317.9258 47761.8826 40044.2667 36666.2483 39803.8518 40670.1266 44918.3013
m-Chlorohippuric acid 37851.5824 44065.9919 43681.8181 47090.5677 56858.9095 14799.7660 15816.5781 15396.5818 13637.6113 22277.7901
Melibiose Melibiose 3469.0234 4666.7268 5741.2866 5921.9549 6770.4782 2807.4427 2368.0536 3411.6744 3571.6413 6032.1692
Mestranol Mestranol 128508.3929 208690.5417 95013.6798 157817.6898 126589.2719 194638.2462 185275.0929 123837.5299 113199.7017 103649.3890
Met-Asn Met-Asn 4220.2323 4066.8576 4301.0180 4106.2048 3099.0121 3203.2000 4290.2759 4275.9698 4981.4354 6627.5199
Met-Gly Met-Gly 13105.5139 8287.7658 10109.0691 9877.2553 9481.8084 12736.5695 25252.8826 14711.3864 17997.4330 14438.7938
Methanone_ [1-(5-hydroxypentyl)-1h-indol-3-yl](4-hydroxyphenyl)- 4522.6880 4046.1689 2720.4640 2042.4511 1681.3367 6927.4972 10388.8223 7938.0265 3844.8365 6017.2818
Methanone_ (6-hydroxy-1-pentyl-1h-indol-3-yl)-1-naphthalenyl- 778.4512 1088.8287 687.4325 566.0200 741.6751 812.2200 1673.4838 1269.6825 1452.4407 542.4351
Methopterine 6193.5664 6308.3961 4727.7716 5403.6337 2950.0611 1094.5473 8046.6274 16002.9111 14042.9927 11577.8352
Methyl hexadecanoate Methyl hexadecanoate 4725.5146 9579.6019 4895.9831 5701.2724 5665.6647 8735.1536 9427.3154 9820.5753 4668.6230 9300.1995
Methylmalonic acid Methylmalonic acid 261185.7612 242035.8983 200910.5471 248590.4985 308080.0879 65208.0983 149323.9508 182756.3444 198170.1079 282366.5687
Methylmalonyl coenzyme a Methylmalonyl-CoA 2832.1146 2923.7423 3323.8336 4091.8667 4206.8696 5618.7869 5741.5818 5211.6680 5876.2287 11859.2282
(methylsulfonyl)octyl glucosinolate 2642.6979 3454.1591 5862.5972 5629.8307 4211.3182 4855.6015 10053.5898 10376.6729 10991.3545 5569.4482
M-hydroxybenzoylecgonine 2536.9284 1026.5707 1970.1074 1786.8271 2296.1294 1322.0603 4537.4396 1905.0613 1490.4453 825.2199
Mitragynine 81549.7599 118598.9411 57228.4287 92986.4686 83132.3396 116098.3045 110926.4171 65539.5673 66628.5694 56269.4685
Muramic acid Muramic acid 41819.0751 360057.6432 349696.1404 304484.2298 176873.7150 170902.0679 221646.2002 142265.0015 175048.9713 159137.2310
Myo-inositol Myo-inositol 5010304.3540 5109546.3650 4849087.9570 5255111.8700 4973954.6300 5035538.8820 6610969.2020 6801834.7460 7286539.4720 7564311.7570
N-(1.3-dihydroxyoctadeca-4.14-dien-2-yl)palmitamide 4438.2935 5409.6960 5186.5011 3503.1795 33705.9419 2806.1044 14448.1217 3679.6168 8081.2826 5344.0290
N2-Acetyl-L-ornithine N-Acetylornithine 1213.2059 2082.4897 1338.5237 1191.9460 2159.3480 1477.8135 1555.9772 1324.0886 1769.9731 1496.7396
N2-trifluoroacetyl-l-glutamine 7562.1138 11520.4781 7084.1602 4670.3771 3114.1502 2401.5725 12402.1990 23489.8453 26487.4345 23423.1763
N-[3-hydroxy-1-{[3.4.5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]hexadecanamide 1720.8786 4888.5853 2996.7976 2727.7361 11879.8956 3476.6871 9908.0420 3723.3905 7879.5423 3717.8669
N4-acetyl-2^-O-methylcytidine 5542.4332 1829.1876 1662.1600 12210.9686 11903.0255 5090.0755 5021.1355 3928.7580 8735.7494 9213.6021
N-(4-aminobenzoyl)-l-glutamic acid 18969.8673 20789.8995 17980.0773 22347.1264 28430.5632 7652.1244 17712.8786 9728.8510 7536.9287 7127.3147
N4-phthalylsulfathiazole 2600.0763 12625.6089 7352.3136 9240.9905 9642.6572 13450.5780 16025.5377 11603.1500 23541.1903 18080.1298
N6-Acetyl-L-lysine N6-Acetyllysine 1722.4905 1567.2588 12943.2331 8671.4731 1243.3078 13223.7661 1921.1920 15140.9600 18792.4005 18442.5220
Nabilone Nabilone 3483.5303 2834.1535 3697.9867 2553.3839 2887.0551 2472.6938 4451.1458 3594.5633 4189.2780 2842.4218
N-Acetylaspartylglutamate (NAAG) N-Acetyl-Asp-Glu 14884.9489 18232.0353 17588.8792 19500.0198 10903.5772 54916.7720 62862.4894 61627.4290 70986.2864 49505.8034
N-acetylaspartylglutamic acid N-Acetyl-Asp-Glu 76839.6401 66831.8809 56040.4521 73007.6306 64242.7050 95287.7393 96328.7402 104863.8645 115893.3706 86074.7076
N-Acetyl-D-Glucosamine 6-Phosphate N-Acetyl-glucosamine 6-phosphate 994612.0200 986734.2357 842069.7029 1161016.1070 902413.5426 1889662.8520 2833322.3330 2521191.3920 2737890.2460 2079171.5810
N-acetyl-d-mannosamine N-Acetyl-mannosamine 128566.4387 317445.0227 534250.9854 356813.2756 173122.9626 612674.3337 1047499.0560 486097.4767 574267.5704 541447.9523
N-Acetylglucosamine 1-phosphate N-Acetyl-D-glucosamine 1-phosphate 3370.2188 2951.4360 4471.9567 3027.9419 3560.6666 3920.2552 3980.7620 1986.5872 2717.6672 1409.2346
N-acetyl-l-aspartic acid N-Acetylaspartic acid 6575383.6050 6887164.8460 7097013.3440 6628253.9920 6737426.5500 5578343.5070 7271949.2790 7051728.8350 7686561.7210 7279282.1440
N-acetyl-l-glutamate N-Acetylglutamic acid 889021.7973 918416.7454 837025.2755 825719.6953 822717.9351 624401.5147 777126.7671 727909.6876 797784.1305 831328.5339
N-Acetyl-L-Histidine N-Acetylhistidine 1840.7679 2823.8966 3084.0339 816.3905 1073.1681 3697.9837 3168.8258 1834.2388 1109.5405 2375.4593
N-acetyl-l-methionine N-Acetylmethionine 64481.8866 73589.7113 75062.9496 44098.3308 52788.9375 182491.3317 142068.8455 102703.9613 109530.6258 106340.6179
N-acetyl-l-tyrosine N-Acetyltyrosine 2411397.9030 2583759.9010 2242729.2460 1688906.8690 1935309.2100 1554561.3670 3452428.8050 2639325.3770 2717892.0520 2708028.8530
N-Acetylneuraminic acid N-Acetylneuraminic acid 67600.0852 67591.3345 62552.3180 82898.9763 69321.6460 77083.5978 100347.1627 94344.6236 112961.1384 70191.9765
N-acetyltyramine 59263.0897 66658.3593 53186.1803 47188.0113 51708.6844 37534.3160 88728.0655 64277.3803 75219.7050 71992.0496
N-alpha-acetyl-l-lysine N(2)-Acetyllysine 20465.7697 20537.2752 15128.9464 17259.0157 20142.7019 31990.9111 32843.1093 33657.1713 35771.6611 37538.6434
N-.alpha.-acetyl-l-ornithine N-Acetylornithine 201079.4137 212022.6295 172647.7900 195876.4289 197228.0385 243641.0434 311294.7123 314344.4620 337724.0376 340883.6800
N-arachidonoyl-.gamma.-aminobutyric acid 653.1922 772.8019 937.1525 520.4247 1329.0170 644.9878 904.8391 595.1766 599.7148 518.5239
N-arachidonoyl-l-serine N-Arachidonoyl L-serine 3219.6072 3946.3074 1239.7400 2777.4166 3540.0644 1058.8233 5096.9651 4205.0956 3235.3338 3980.5776
Narirutin Narirutin 1304.3865 1840.1175 1229.3066 2159.2179 1304.3986 2031.4275 8805.1991 1213.5797 2275.9867 1245.1513
N-(dodecanoyl)-1-.beta.-glucosyl-sphing-4-enine GlcCer 18:1;O2/12:0 432.6151 1487.9778 1173.7480 573.4646 1299.5606 552.0189 2373.8818 1020.7518 3626.1449 1123.7548
Nelfinavir Nelfinavir 8110.8136 12173.4672 10003.4937 8657.9834 8954.2740 8188.8420 14901.8683 5973.8387 8518.8191 8776.5784
Neohesperidin 1181.7154 1781.2159 1303.7097 1685.6505 1163.0845 2238.1948 14403.9811 1349.3515 1865.8524 1187.5697
Neomangiferin 3166.9008 3388.2284 2527.6288 4637.3151 4004.2669 765.3054 718.7637 731.6581 936.0869 734.7453
Nepodin 1352.8114 1294.1534 1448.6705 1550.4803 1524.1803 1218.9632 1126.9143 659.2395 689.3248 1402.5239
Nervonic acid Nervonic acid 13728.7607 56035.5670 17905.8591 57574.9190 84443.8795 12587.7845 69261.5810 1412.7362 24857.9970 41305.4393
N-formylmethionine N-Formylmethionine 5383.0212 5104.0745 8128.0350 5056.2738 4049.4838 17901.8215 16563.0589 8533.1149 13925.4202 8100.0076
N-fructosyl pyroglutamate 72422.0241 76839.2611 63958.8521 68053.7472 83214.9588 59089.5294 78396.0661 80792.1802 79232.2564 92046.6055
N-glycolylneuraminic acid N-Glycolylneuraminic acid 12859.3103 18344.0167 11993.1209 15186.9742 15585.0264 16950.5102 22586.5160 16041.1661 22628.5392 21844.5711
Nicotinamide ribotide Nicotinamide ribotide 57969.9921 54372.3464 48108.4451 46930.2376 47474.8261 77121.9644 98867.7574 86775.3064 90586.2771 74835.6099
N-lauroylsarcosine 3457.3993 3578.2636 2707.7610 8023.4908 3897.1342 3478.0737 13988.2258 3943.6556 6993.4867 4673.6278
Nname_cis-9_10-Epoxystearic acid 11658.5385 9703.9074 4323.0116 1218.5253 3771.3614 11964.9654 13913.4808 16020.9944 13521.6834 13867.9343
N_n^-dicarbobenzyloxy-l-ornithine 156915.0961 179150.0559 158014.2999 211202.6890 139847.5922 197813.2984 402811.2913 276703.1998 350856.5576 173531.8373
N-nitroso-n-methyl-3-aminopropionic acid 7463.4003 3950.2256 3368.1060 2131.7019 10648.3261 8370.7511 2620.0440 3052.5467 2618.6140 4118.8139
Nocardamine 180987.7016 396973.5254 378000.6887 77447.0822 65303.0112 486844.4427 389475.0737 362907.8753 365679.8334 342984.3499
N-octyl sulfate 2072.1729 3406.8248 1326.5386 2620.9975 2311.2627 1508.2987 2686.9452 2744.8084 1979.7164 2204.3059
N-oleoyl-l-serine NASer 18:1(9Z) 3837.7033 4330.7686 2503.8602 2740.9847 2461.0357 4494.4589 4216.1570 4600.0646 5113.8199 4059.7891
Norbuprenorphine glucuronide 3375.3246 4369.3319 2511.1379 2629.0075 2124.3262 3722.7257 3201.8907 3996.9677 3575.7331 3448.3963
Nordihydroguaiaretic Acid Nordihydroguaiaretic Acid 50660.1380 51930.9118 50624.8726 42808.2678 51220.1212 54345.7340 62241.2374 60052.0265 72790.6082 68997.0051
Novobiocin Novobiocin 3516.2826 3533.8059 2686.1676 3174.8852 3078.4918 1006.9723 2297.1212 2458.8696 2139.9149 2231.2477
N-palmitoyl-d-sphingosine 2023.6174 4430.4259 6541.9544 3940.0977 41748.6514 3422.9378 12084.7520 3347.4628 5174.3409 4967.9120
N-palmitoyltaurine N-Palmitoyl taurine 741.6630 14550.9996 10979.9203 8628.1880 14659.5259 15677.8794 27602.3048 11955.8941 13404.1215 14453.3612
Nudifloramide 21850.1102 27616.9555 27774.9397 36412.2604 25032.1932 28414.6422 61813.8681 40710.1034 61174.3380 30373.5502
OAHFA(18:2_30:0)-H 188206.0511 108383.1403 134629.3820 185866.6457 60146.3612 129073.0454 115347.0184 40648.2786 261300.8453 53443.7766
OAHFA(34:2)-H 1656205.8740 1712278.0450 1648672.2320 1240145.4840 1198972.8220 1779758.4660 860866.0277 975584.9178 925783.8993 668549.7865
OAHFA(38:2)-H 5946166.6430 5493828.2160 6322822.2510 5066510.8540 4222858.6070 5656798.1050 2616970.2380 3126778.2040 2428962.0140 2074723.4820
OAHFA(38:4)-H 986685.1863 1922151.2780 879724.8752 925937.3994 437362.9897 1052649.1100 332810.0703 347808.9731 486468.1962 350112.8358
OAHFA(41:4)-H 2401587.8960 2343521.0790 2198237.8640 2252786.6290 2279832.6240 3534809.4080 4685122.2230 4192216.6600 3847711.1570 4926111.1880
OAHFA(45:4)-H 62872313.9800 51535579.1900 56028465.6700 49139413.5300 66416735.2400 56068306.8100 69495222.8000 55905425.0800 55300316.4900 74127603.3700
OAHFA(48:4)-H 3677423.2010 3205028.1860 3505456.0780 2913340.3150 3083864.4650 5118218.3180 4422099.3520 4145330.2580 4842676.0840 4261270.4230
OAHFA(49:3)-H 235440.5272 206884.6292 247124.7239 185787.6281 215099.4828 117013.1302 133946.7624 168156.7552 146706.8208 178433.3441
Octadecanoic acid Stearic acid 4461536.4670 4083040.6200 3452047.2200 4107357.6100 4181051.9130 4031369.3280 4040295.9990 4162166.4170 3014897.1180 3998320.0590
O-desmethylastemizole 6089.5131 3680.0474 3774.4539 6364.6901 4390.5128 3479.2627 6644.9608 5183.7736 4795.9000 4177.9804
Oleanane -2h_ +1o_ 1cooh_ o-hexa-hexa 7159.1283 3497.9328 4263.4873 4086.6180 4618.0259 7772.7070 33773.3596 10807.7364 10175.2187 8120.4499
Oleanolic acid base + o-hexa-hex 2018.1950 2582.0959 2312.6209 1469.9029 2775.6503 2574.4400 4869.0090 2263.7281 4060.1581 2661.1097
Oleic acid Oleic acid 11020.9139 20536.3532 15353.9640 10514.9280 28361.6159 10764.4574 23897.9068 14584.7386 51479.8123 20362.3924
Oleoside 11-methyl ester 526143.5867 554985.4532 551966.7490 374819.5616 373542.4057 1091110.8730 1205107.1200 991515.6729 1192552.0810 1059313.2160
O_o-diethyl thiophosphate 3459.2238 2764.5494 979.9876 3526.9489 2157.8189 879.4745 1107.8991 989.5866 1580.4563 947.6863
O-phosphoethanolamine Phosphoethanolamine 127476.6302 127639.3343 130829.8851 129038.6555 139399.6715 115848.0389 158367.0704 151876.6092 151139.3586 155625.1428
O-Phospho-L-homoserine O-Phosphohomoserine 3063.0935 2527.3022 2474.8233 414.9984 409.2115 1234.7573 1020.0451 2780.8157 885.6671 636.0757
Orotate Orotic acid 54301.2959 54430.6962 50350.3453 8351.6384 10450.4261 5989.9767 21293.4473 13696.1213 19631.0647 10594.6086
Oseltamivir acid 3384.7260 8589.7771 3757.0192 2841.1462 2208.6550 893.9884 8136.5538 6156.4850 4331.1157 4971.2580
Ostruthin Ostruthin 106037.8495 144786.9940 115955.7720 134958.3993 135338.2709 139925.4905 112513.6551 151550.2948 83570.9715 123842.9360
Oxoglutaric acid 2-Oxoglutaric acid 1672.8347 1313.5064 3407.9736 2301.5912 1660.1649 2162.0293 1888.1694 1462.6234 1847.6731 1947.0046
Oxyacanthine 11139.7539 6355.6838 3788.6015 8087.3233 3026.9639 4250.0853 19082.8152 13042.3326 4944.0528 5137.6134
Oxyresveratrol 5493.9593 4028.4838 6079.1844 15002.5427 4130.3719 1332.3644 631.4722 2022.9060 2371.2703 1134.0195
PA(10:0_10:2)-H PA 10:0_10:2* 3822925.5850 5706560.9140 4127198.5550 2462155.8520 1090933.4120 2229788.0620 1296614.3570 1499414.7290 2920989.0020 690610.7621
PA(16:0_16:1)-H PA 16:0_16:1 2446071.5690 1988623.3700 2293964.4170 743153.1091 1684648.9820 1692886.9150 1796514.8180 2268456.8400 1858254.5940 1524965.4550
PA(16:0_18:1)-H PA 16:0_18:1 5430160.9830 5939676.3310 6059409.1570 4364741.4500 4893870.5530 4290673.7880 5965159.2310 9081154.6080 5731110.3570 6343895.2760
PA(16:1_17:0)-H PA 16:1_17:0 2532830.2620 2031263.2940 2842556.5400 5517408.3000 389927.8610 1845466.4670 1152507.6660 2848352.4460 5375537.9420 3151181.2170
PA(17:0_18:1)-H PA 17:0_18:1 5187617.9580 4646925.5630 5903752.7570 10682464.6100 1385410.4940 4679717.0830 3591519.0280 7217897.7220 10818595.0600 5984516.7360
PA(18:0_18:1)-H PA 18:0_18:1 2854414.0910 6417098.2850 7134986.2740 5105320.3210 6385911.8570 6358135.0540 6991631.6340 9520471.2390 7791490.7140 7828228.3440
PA(18:1_18:1)-H PA 18:1/18:1 5761675.5580 1446847.7090 1836918.9940 908959.2713 2081597.3820 2833388.5150 579469.1619 2032415.7310 784220.0664 990011.8911
PA(20:3_23:1)-H PA 20:3_23:1* 21459777.8900 24027397.4700 25519771.3300 22272177.4000 20525838.5800 32301858.0800 27196615.2700 26229151.2100 33815897.4300 26722659.1600
PA(24:0_22:6)-H PA 22:6_24:0 15889552.6100 22265151.1700 21673473.1600 21041426.5500 14756427.4800 12244474.2300 19307945.8700 22903210.2100 20760373.4500 18246150.8500
PA(28:0_22:6)-H PA 22:6_28:0 2617812.1110 2927036.3950 2820122.3870 2965298.9120 2794453.4530 1835757.6680 1433948.7830 1202693.0900 1822315.3220 1148680.3110
PA(32:1_10:4)-H PA 10:4_32:1* 782860.6139 3694660.8800 3577231.8770 4742803.6850 8439845.0690 20622426.2200 12789932.9300 3253968.9800 15060330.5000 3876221.0890
PA(33:0_10:1)-H PA 10:1_33:0* 1508709.5630 476561.6968 1645441.3510 700615.3287 1766389.4640 1533375.9800 1472579.5040 1176452.8620 1495906.9340 569446.8020
PA(35:2)-H PA 35:2 565648.4316 97811.9955 244431.0579 292905.1036 709222.8752 568531.4079 131847.9679 747827.8054 1399006.3680 218340.4692
PA(42:5)-H PA 42:5 993773032.7000 1058690046 1086500624 867738342.9000 959181314.7000 1457564150 1187837376 1091960406 1478527303 1129655471
PA(45:6)-H PA 45:6 3628476.9230 3840701.2810 3263959.2010 4030566.1760 3979500.9950 4056922.9680 4215393.9690 4145876.9060 3235488.4100 4424907.4450
PA(48:5)-H PA 48:5 33432479.4400 33988604.0200 35201639.2100 33087170.4000 32526433 28340161.9300 23954683.5300 20550986.9700 27246896.3100 23028476.4300
PA(48:6)-H PA 48:6 4854666.0630 3326127.0550 3541209.5920 3913486.9320 4720967.9340 2493588.5590 2262065.4930 2368776.6610 2858073.3680 1903382.4750
Palmitic acid Palmitic acid 1677841.4770 2581805.0460 1226522.5080 2499530.0040 2486462.3680 2781395.4400 2697361.1230 2171658.6650 1614247.7530 2277388.0840
Pantothenate Pantothenic acid 8378513.5490 7210179.1480 4823447.1940 8412867.7010 8205165.5160 1683454.5870 6124482.1020 9034803.4390 8634473.1170 8913410.2740
PC(10:0_11:2)+HCOO PC 10:0_11:2* 1311852.9810 1032133.5260 1086727.4930 1073587.1070 1107854.3950 1531995.4680 1117096.4610 1049738.7580 1120037.2900 958016.3048
PC(10:1e_14:4)+HCOO PC O-10:1_14:4* 624748.8662 415773.4110 295477.9417 198163.6244 389589.7008 1095842.3920 953734.3116 828137.5955 739867.3241 598425.6827
PC(10:1e_18:1)-CH3 PC O-10:1_18:1* 2151651.9770 2504030.5620 4339379.1690 3897684.9390 1929934.0720 8692265.8370 5522587.2740 7067349.5640 7161203.4890 3480241.8900
PC(11:0_10:4)+HCOO PC 10:4_11:0* 5837422.5520 1077062.4740 764633.8860 512732.0011 725593.0129 2988833.2040 3095110.5140 1554082.0420 2351758.8340 1400913.2720
PC(12:0_14:0)+HCOO PC 12:0_14:0 1687940.3560 1747252.4800 1771697.9040 1565143.4140 1482625.0340 2166481.6010 1444421.6030 1393702.0730 1825913.8740 1331368.3700
PC(12:0e_14:0)+HCOO PC O-12:0_14:0* 572737.3259 560944.8406 810736.9990 502149.2049 614540.0070 1628386.0870 812097.8914 833461.9845 1246797.4750 940442.0505
PC(12:0e_15:0)+HCOO PC O-12:0_15:0* 683951.7556 451614.7363 707608.0716 303667.9832 404428.1045 2660770.1890 2064878.1600 1722738.7570 2485627.9490 1911336.5710
PC(12:0e_16:0)+HCOO PC O-12:0_16:0* 15129370.5900 16248339.9300 16413679.7200 15648760.8200 14200997.7700 24272085.6200 17757599.1900 17794864.5100 23265333.1000 18589986.0800
PC(12:0e_16:1)+HCOO PC O-12:0_16:1* 1940695.0720 1933534.4910 1345844.5660 1449969.5020 824519.2561 2487187.2330 1791650.4030 1681323.9480 2948621.1370 2355000.0850
PC(12:0e_18:1)+HCOO PC O-12:0_18:1* 18549189.8900 19039270.3800 19079416.8500 18398674.3700 18196484.6500 24186294.7300 18252804.1000 17640981.1400 22565061.7200 18520286.4100
PC(12:0e_18:2)+HCOO PC O-12:0_18:2* 1276080.8880 998724.8827 1396687.7770 865120.2537 1002305.1440 2400245.9300 1450364.9410 1753650.7870 2447418.6270 713881.0505
PC(12:0e_20:4)+HCOO PC O-12:0_20:4* 1007174.3940 1032732.9320 1104387.6240 1055755.7760 1123133.2010 2055471.7460 1551444.0070 1591501.2820 2275562.9560 1635067.6860
PC(12:0e_22:6)+HCOO PC O-12:0_22:6* 1231677.7040 1157937.6190 1125468.7310 1108642.6300 918467.7110 2701814.2020 1968160.9340 1688746.6080 3118274.3810 2163543.8910
PC(12:1e_22:4)+HCOO PC O-12:1_22:4* 4022731.9790 3916467.1740 3902818.6260 4274057.4380 4129825.8240 5866729.2090 6557001.3840 6881691.1080 6770031.7270 5906736.4970
PC(12:1e_22:6)+HCOO PC O-12:1_22:6* 306887.4602 516046.8969 605180.6014 487654.8450 467367.5105 1398611.7920 1214081.6240 725434.4049 1272306.5110 1216749.4370
PC(14:0_13:0)+HCOO PC 13:0_14:0 729239.5803 723019.9089 722250.7579 715209.2866 548357.7381 1195157.2670 771201.0175 707382.9074 981110.1196 743514.5257
PC(14:0_14:0)+HCOO PC 14:0/14:0 241397914.8000 253170434.2000 235972548.4000 231474611.8000 224996903.1000 317011806 232479576.9000 222500926.8000 278211775.9000 214600863.2000
PC(14:0_14:1)+HCOO PC 14:0_14:1 1158605.8920 620790.4310 917989.0545 859993.7606 563809.0814 1475988.6320 2120471.2310 1729010.7950 2378272.4060 1661765.4780
PC(14:0_18:3)+HCOO PC 14:0_18:3 23366225.3600 15594434.5000 16121670.6400 15560927.5100 13710581.6100 24760712.8200 19979929.7500 16291256.1900 16596183.1100 14878010.6300
PC(14:0_20:4)+HCOO PC 14:0_20:4 30929367.8000 33711132.0300 27402537.0600 30905405.6300 29245078.4800 67554299.2200 49331701.5800 56710960.5900 51086172.1200 46698356.8700
PC(14:0_20:5)+HCOO PC 14:0_20:5 4905076.0580 5628002.1920 5337102.5540 5577733.3210 4459616.0600 10391338.1200 7770230.7380 6586958.0260 9823729.2620 7039421.1810
PC(14:0_22:6)+HCOO PC 14:0_22:6 8258022.5490 9449675.3220 9388905.9110 8634841.3060 7582940.9750 19346871.3700 15224124.4200 14564922.9600 11593630.3300 15235326.5100
PC(14:0e_15:0)+HCOO PC O-14:0_15:0* 4504481.0390 4041150.3860 3460542.6290 3958349.7610 4050728.6990 8760768.2660 8233121.3610 6584269.7810 7466320.3210 7068936.9110
PC(14:1e_14:0)+HCOO PC O-14:1/14:0 1533448.2320 2250121.9950 1666865.2810 1864982.4960 1799755.7080 1268106.1500 1688486.2880 1601558.1890 1637620.3560 1216753.2700
PC(14:1e_18:1)+HCOO PC O-14:1/18:1 660313.6846 662995.9645 604952.9274 568767.2311 546816.0513 1064431.7530 769281.1439 610394.9669 1043242.0780 768081.6543
PC(14:1e_20:4)+HCOO PC O-14:1/20:4 955479.2077 1883783.9870 1105528.4320 2075300.6250 1603657.5950 2113358.0160 2739406.6620 2147806.9280 1662499.8580 2651454.3150
PC(14:1e_22:4)+HCOO PC O-14:1/22:4 3415847.6880 3483213.1110 3597942.8850 3583256.7040 3355225.7380 2560742.3410 3212084.2380 4403322.0180 4110482.3350 3343384.0290
PC(14:1e_22:6)+HCOO PC O-14:1/22:6 1627968.0670 2236561.9290 2011072.6860 2102938.6890 2094981.4430 3650062.8520 2823383.4650 2923592.1630 3450509.5190 2989130.8460
PC(15:0_14:0)+HCOO PC 14:0_15:0 67527219.5600 72002349.4600 71674940.8800 70307255.7800 63812956.3600 97275057.9400 73330996.4200 65701427.1000 88049047.4200 68490735.9200
PC(15:0_16:0)-CH3 PC 15:0_16:0 3311080.1270 3890239.6570 3959721.0630 2868620.6020 2548602.4850 4143206.3710 3267855.4690 3374778.1590 4546605.7290 3282552.6140
PC(15:0_16:0)+HCOO PC 15:0_16:0 109514125.1000 105698551.9000 104427551 98256799.5900 98909228.5800 97096210.6300 81038753.5100 77698213.5700 102239343.7000 76445280.0700
PC(15:0_16:1)+HCOO PC 15:0_16:1 230047219.5000 241188773.6000 242541938.5000 231502157.3000 223683742.4000 400783550.2000 303348633.8000 272254275.3000 359754597.6000 291749175.7000
PC(15:0_18:3)+HCOO PC 15:0_18:3 2049160.0860 3572108.1130 1339133.7660 1783395.7780 1812715.7410 6977443.6100 3265111.4180 2792850.0070 1664030.8370 3512692.7500
PC(15:0_20:3)+HCOO PC 15:0_20:3 13286608.2500 12279372.4500 11847016.6300 11083889.3800 12401304.7600 14419456.3500 11108614.2000 10623313.9800 15619807.1200 11520663.3800
PC(15:0_20:4)+HCOO PC 15:0_20:4 2704306.1380 2201208.8370 2399260.7360 2647462.1090 2548123.7770 3441582.3650 3237375.9710 1720089.5360 3235362.9630 4584736.9650
PC(15:0_20:5)+HCOO PC 15:0_20:5 1586548.7290 1724817.8300 2049246.8410 1762903.1190 1844409.4960 3647062.3990 2650131.1080 2531272.2530 3557637.7730 2531787.0080
PC(15:0_22:6)+HCOO PC 15:0_22:6 11705609.3000 14057448.2000 13302774.4400 13043802.5200 10688900.3900 23195112.8300 18402592.7100 17193879.1000 20608550.1900 17732046.4400
PC(16:0_10:1)+HCOO PC 10:1_16:0* 1746785.3150 96752.7034 154872.3176 0.6682 294010.2680 558445.8043 673063.4164 282491.7251 617960.3675 184139.8350
PC(16:0_14:0)+HCOO PC 14:0_16:0 1207806619 1222734944 1251756533 1217662471 1182906137 1375718241 1191335494 1158099441 1298046568 1129957276
PC(16:0_16:0)+HCOO PC 16:0/16:0 678727679.3000 715194256.4000 690434558.9000 667085301.7000 642107491.5000 726994401.6000 647880578.9000 638055147.6000 701884910.1000 626470058.8000
PC(16:0_16:1)-CH3 PC 16:0_16:1 1372133357 1437312833 1464631593 1399342905 1342636129 2639342986 2141009847 2166925121 2477776748 2158225563
PC(16:0_17:0)-CH3 PC 16:0_17:0 6071274.8190 6348094.1110 6451628.9230 5977033.1720 6333384.2420 6240929.5140 4992182.1240 4950008.2650 5902155.7770 5259696.8150
PC(16:0_17:0)+HCOO PC 16:0_17:0 172526414.1000 187206808.1000 175141282.4000 177742595.9000 166146181 181904488.1000 146213299 138681524.6000 162991166.8000 134994392.8000
PC(16:0_18:1)+HCOO PC 16:0_18:1 7543853649 8368432130 8900641635 8076695101 8063090758 10249882413 8763573002 9059484277 10269206302 8366758509
PC(16:0_18:3)+HCOO PC 16:0_18:3 20100130.2700 25500007.9500 27976906.5800 38518518.7400 29192769.8100 49657002.2700 41329009.4100 36575113.8400 50078502.1200 38807459.5800
PC(16:0_20:1)+HCOO PC 16:0_20:1 2664163396 2665102961 2566907409 2581432271 2457634213 2734751444 2176482332 2233813185 2546000552 2081991700
PC(16:0_20:3)+HCOO PC 16:0_20:3 142316417.6000 133589208.1000 137905464.1000 134391267.5000 135733789.6000 149684955.5000 126700530.2000 104475707.9000 136773116.1000 109779078.1000
PC(16:0_20:4)+HCOO PC 16:0_20:4 273023400.5000 285831929.1000 289222309.5000 276419827.8000 259140742.7000 465096270.4000 394183719.3000 352953228.7000 442065585.7000 377116340.3000
PC(16:0_20:5)+HCOO PC 16:0_20:5 41801397.7500 42919429.9300 44738335.8300 42167791.9900 39231025.5600 99479037.7100 64102141.5500 59766157.7100 88968335.5200 64228846.0300
PC(16:0_22:0)+HCOO PC 16:0_22:0 4338346.4330 5252781.4000 5344654.7320 4395177.0470 4440071.7550 3260486.2210 2198656.7520 3333845.5560 2494756.2070 1825624.6860
PC(16:0_22:1)+HCOO PC 16:0_22:1 168332451.5000 178374952.8000 175898116.6000 171373767.3000 165408011.8000 152465317.7000 126915850.1000 133782051.8000 141038453.6000 114306578
PC(16:0_22:5)+HCOO PC 16:0_22:5 18171670.3200 6164740.3660 7235101.6110 3333880.9970 5223256.3760 14937437.1000 12474509.2200 8585894.5620 12513309.6300 7928480.8750
PC(16:0_22:6)+HCOO PC 16:0_22:6 381602826.9000 412036916.8000 402722282.7000 399701687.4000 401808490.3000 746187413.5000 585270553.4000 545221329.9000 659238608.5000 594118291.4000
PC(16:0_24:0)+HCOO PC 16:0_24:0 12265275.2400 14411886.2400 12582526.8000 13099886.6000 10880706.9400 10802801.3000 8236859.0160 8874206.7150 9203375.4290 6396755.3290
PC(16:0_24:1)+HCOO PC 16:0_24:1 57978667.0900 62780002.5300 62667700.6900 61249843.0700 56861048.0100 54046811.7700 45315300.4100 45254334.7700 50100853.4800 39790444.6800
Pc(16:0e/10-hdohe) 6509.3076 11962.6787 11919.1754 4986.6642 16206.7643 4133.6743 11995.6364 7185.5440 16240.9904 9915.8160
Pc(16:0e/13-hode) 408251.7566 1361834.9640 545924.4237 363540.8924 1219848.6910 325717.6441 826531.3635 526589.0348 1022324.9200 685779.0464
PC(16:0e_14:0)+HCOO PC O-16:0/14:0 142018625.4000 151943365.1000 152458857.3000 152176617.4000 132411873.8000 106730274.4000 89828366.7700 86641475.1200 100568047.9000 88866826.3400
PC(16:0e_14:1)+HCOO PC O-16:0_14:1* 2784865.2190 2466132.9650 2289220.5750 1690999.9620 1988977.7780 1701136.2500 1546581.7690 1187685.7420 1011109.1700 1006299.3600
PC(16:0e_15:0)+HCOO PC O-16:0_15:0* 23501241.4100 25210066.1800 25410056.0700 23082629.6000 22073747.5000 14555299.7700 11434890.5500 9436033.3230 12300055.7300 10463275.1200
PC(16:0e_16:0)+HCOO PC O-16:0/16:0 465241229.1000 478051986.1000 478955718 469519376 461555938.3000 429717312.6000 382009368.6000 376429727 422881175.3000 345893347.9000
PC(16:0e_16:1)+HCOO PC O-16:0/16:1 827935245.2000 881093376.9000 917803418 832927875.7000 774457275.6000 935924801.5000 679221048.2000 720271173.6000 862282763.2000 687112589.8000
PC(16:0e_17:0)+HCOO PC O-16:0_17:0* 54383304.7700 54856395.5400 56902037.3900 53147302.7400 51668881.0300 33510084.7500 31789326.2700 28873608.3400 38454211.4100 31871357.1200
PC(16:0e_17:1)+HCOO PC O-16:0_17:1* 83213681.5700 84212793.2700 88595782.4000 82184177.3900 76378408.0900 90180580.5300 75416211.9900 70434856.2200 85652850.6500 68163729.2400
PC(16:0e_20:3)+HCOO PC O-16:0/20:3 30310816.0300 29562111.6000 31407819.3700 29141635.7500 25607354.2400 34666780.9000 32654417.9300 31274091.7800 29161675.2300 24118304.1600
PC(16:0e_20:5)+HCOO PC O-16:0/20:5 27322244.0700 27996060.2400 24797538.2900 29701666.4000 28268387.7100 26868411.6600 19279791.3600 19271579.0500 22622594.8900 18684902.2900
PC(16:0e_22:0)+HCOO PC O-16:0_22:0* 14745061.6200 16449325.3100 14901309.9300 15200599.8200 13593992.4200 18690984.0300 14694214.6400 14638988.6400 16292770.0300 12940600.9900
PC(16:0e_22:2)+HCOO PC O-16:0_22:2* 98674474.6400 101501097.4000 109292705.6000 101229782.9000 92072025.3100 49643856.4700 41544439.8000 35721188.4000 47599246.6500 37742115.2200
PC(16:0e_24:0)+HCOO PC O-16:0_24:0* 2784503.3830 3071294.7130 2806642.5780 2727467.6390 2792153.0230 3309983.7920 2477016.4630 2232994.9110 2650654.4350 2299831.6360
PC(16:0e_24:1)+HCOO PC O-16:0_24:1* 24879687.3400 25057907.1000 28293618.1100 23381161.0200 23448147.5600 30742754.3200 18606297.7500 18636083.0500 20216280.8100 16146247.2600
Pc(16:0e/8-hepe) 16945.9646 29896.6884 19421.8651 14400.1953 33288.4311 10207.1747 23955.6768 14455.4297 50658.9022 19205.8832
PC(16:1_12:0)+HCOO PC 12:0_16:1 2404982.9610 2586834.0940 2465299.5610 2558117.2610 2104816.3480 4701624.7050 3347530.2460 2717651.1150 4067098.7900 3261388.1390
PC(16:1_13:0)+HCOO PC 13:0_16:1 2275453.1850 2323333.7060 2200212.5400 2069390.4470 2036089.5520 4855087.4590 3592141.6230 2996372.9320 4107565.4090 3345740.6390
PC(16:1_14:0)+HCOO PC 14:0_16:1 437594380.5000 547275479 463928888.1000 453191858.7000 430667188.6000 786613174 582046244.6000 501353889.6000 648979291.2000 574702057
PC(16:1_14:1)-CH3 PC 14:1_16:1 1881196.1520 2866523.1330 2313729.5870 2800200.8010 1588051.1990 2062608.3800 4310645.6370 2882551.1200 4374058.5890 2140422.0920
PC(16:1_14:1)+HCOO PC 14:1_16:1 2647662.4320 2993455.5600 2928792.0440 2640097.4090 2402863.1370 7146812.8470 5162220.6850 4361318.0880 6766711.7720 4561907.2210
PC(16:1_16:1)+HCOO PC 16:1/16:1 589347016.4000 539871427.1000 593453510.9000 549865370.8000 527254391.1000 992386770.7000 751867049 677719245 937514422.8000 730897072.7000
PC(16:1_18:1)-CH3 PC 16:1_18:1 443214.1572 2414708.9360 2110524.1610 5182142.3640 919008.3296 930669.3222 1508479.3180 2032307.0910 2295315.8200 2339062.2850
PC(16:1_18:1)+HCOO PC 16:1_18:1 5285655838 2813031124 2377132402 2892678208 2335321371 3828103524 5569906648 4903336286 2734178209 4786963139
PC(16:1_18:2)+HCOO PC 16:1_18:2 98356363.0100 111356903.5000 107811085.3000 109063932.5000 106228746.7000 197724946.1000 142945295.2000 135437972.2000 188637431.4000 142035692.2000
PC(16:1_18:3)+HCOO PC 16:1_18:3 3487272.2620 3756814.0960 3457853.0930 3335687.4190 3406953.3360 8167312.1450 5270319.2370 5623406.4520 7817813.1760 5320012.6570
PC(16:1_20:4)+HCOO PC 16:1_20:4 2523939.3190 1768307.7630 2963067.2630 486280.8657 1788776.5840 1447571.9900 2661217.4580 3293536.2400 1703458.0400 2796388.6710
PC(16:1_22:5)+HCOO PC 16:1_22:5 62078508.5700 69806288.2800 63316370.6400 64962165.9300 59471932.8400 92299084.6100 59240801.7600 65455517.0200 84515132.4300 63378094.9600
PC(16:1_22:6)+HCOO PC 16:1_22:6 76091405.6200 56992462.2700 80715914.8500 58105034.2300 74618509.7800 136931271.9000 93638893.7700 86320658.4300 114944964.8000 91498102.9700
PC(16:1e_13:0)+HCOO PC O-16:1/13:0 2088917.2110 2573961.5730 2581363.4720 2499298.5900 2468611.4620 3088604.8990 3012146.2600 2703937.7790 2823684.1610 2623243.4400
PC(16:1e_14:0)+HCOO PC O-16:1/14:0 186977300.9000 190165700.9000 192066757.5000 186063254.3000 173565249.2000 204010138.5000 171184112.2000 167664487.5000 194865250.8000 162991733.9000
PC(16:1e_16:0)+HCOO PC O-16:1/16:0 361549023.1000 391731763.5000 389003684 379451687.8000 363399999.4000 490283901.2000 414199799.9000 432163495.8000 462366810 397401960.8000
PC(16:1e_16:1)+HCOO PC O-16:1/16:1 5340421.6060 4865074.4570 6005698.6570 4843646.8020 4381921.9810 5521699.7420 3739639.4370 506523.4737 5339270.7370 4611457.5190
PC(16:1e_17:1)+HCOO PC O-16:1/17:1 17220339.0400 16102073.9500 20133225.6000 15472398.6500 15979911.0400 27152029.7000 27635692.2000 26218464.5800 24296859.8900 29601842.3900
Pc(16:1e/17-hdohe) 10591.1454 18557.9823 11288.8459 7382.9680 26644.4374 3648.3507 17693.2596 9484.7901 25289.0442 13524.1688
PC(16:1e_18:1)+HCOO PC O-16:1/18:1 1014224299 1016322481 1013120144 1031632973 963268101 1306308587 1044998986 1217735772 1280242699 989595039.3000
PC(16:1e_18:2)+HCOO PC O-16:1/18:2 80182829.0200 139977168.6000 142011083.3000 137985997.7000 76714349.0200 213339938.4000 175270360 170156051.9000 200703605.3000 159093965.4000
PC(16:1e_18:3)+HCOO PC O-16:1/18:3 1737889.4890 2141102.7340 2024954.8890 1608379.2360 1935830.7430 2850998.6700 3034991.6450 2773895.8110 2564219.6420 3323511.1350
PC(16:1e_20:3)+HCOO PC O-16:1/20:3 233342552.3000 238906770 241389983.7000 228542234.9000 222735995.5000 242175887.6000 186609894.4000 173960785.8000 218115205.6000 176808903.7000
PC(16:1e_20:4)+HCOO PC O-16:1/20:4 183970613.9000 191796053.2000 191781444.2000 181072685.2000 168885009.4000 306862046.3000 241227011.2000 243810255 290983894.4000 237097121.5000
PC(16:1e_20:5)+HCOO PC O-16:1/20:5 24274135.9900 27217447.8900 27015805.2500 26730320.3900 26725921.1100 41299323.8800 34501062.5900 35758002.3800 40113588.7900 33016440.5000
PC(16:1e_21:1)+HCOO PC O-16:1_21:1* 6920978.7910 4802035.2070 4549144.0460 3519600.8140 6140164.5770 10818709.1600 5499093.9380 8184977.3580 7889498.4210 6252464.0970
PC(16:1e_22:2)+HCOO PC O-16:1/22:2 23584318.8000 31235485.7100 58285844.1300 28625602.8800 28369537.3100 38730695.4800 14909635.8500 18126353.1000 18469072.6200 14001444.3700
PC(16:1e_22:5)+HCOO PC O-16:1/22:5 31445757.2600 25688440.8900 31060182.3500 32212630.6500 27616717.7200 38851614.6800 32999584.8800 31514804.5300 36075190.8900 30865345
PC(16:1e_22:6)+HCOO PC O-16:1/22:6 277144199.2000 284952484.6000 289236858.9000 286238228.7000 274495130.4000 442171985.9000 384629374 369797440.3000 434645933.5000 368088448.9000
PC(16:1e_24:0)+HCOO PC O-16:1/24:0 6160072.3460 5478824.3700 4575920.2920 5281093.4880 5497184.3380 6653483.6000 5878528.8940 6177259.6570 6293708.4840 6302755.2970
PC(16:1e_24:1)+HCOO PC O-16:1/24:1 15587941.3800 17677006.9800 17674844.1800 16677926.2900 15348500.5600 16770649.8100 12963658.1200 11963897.4400 15905491.6800 11688608.7700
Pc(16:1e/8_9-epete) 4004.5422 11179.9536 5017.7161 3535.3470 6345.0325 2356.3305 6321.6397 3713.2055 12572.6143 4694.7832
Pc(16:1e/9-hode) 127009.4693 203735.7209 143714.3531 117605.6832 220534.0795 88236.3305 193037.0218 132430.7626 259803.4538 166802.2832
PC(16:2e_14:0)+HCOO PC O-16:2/14:0 7459387.5120 7913250.2880 8163547.0560 7271248.1570 7223162.7930 12139558.8400 9102590.7540 10937445 11921003.1800 9224766.8440
PC(16:2e_15:0)+HCOO PC O-16:2/15:0 2107282.5830 5131607.5770 7262968.7220 155011.3173 4703542.2950 8930158.6390 3048351.9030 9095947.6570 6406334.1960 3910524.9250
PC(16:2e_16:1)+HCOO PC O-16:2/16:1 5974313.9160 7403773.7750 6851773.5250 6786940.4600 6335252.5130 8750324.2240 7727940.0660 6163170.6320 5166548.0660 6795679.9040
PC(16:2e_18:1)+HCOO PC O-16:2/18:1 4120153.5690 4101969.8230 4605760.1490 3439624.9620 4129006.3150 4755442.3300 4000621.7090 4890011.2220 4144311.4320 4539801.6480
PC(16:2e_19:1)+HCOO PC O-16:2_19:1* 5571800.6280 4986356.3830 4941641.7580 5016532.9750 4554731.3500 7229982.2320 5176241.4260 5171727.8790 7452852.0490 5995578.2570
PC(16:2e_20:4)+HCOO PC O-16:2/20:4 1731301.0520 1881316.1270 1692160.7450 2710395.9920 1392295.7370 2912788.0210 1978611.3440 1719716.6970 2138840.0050 2032677.0620
PC(16:2e_21:1)+HCOO PC O-16:2_21:1* 9663911.9600 13176422.4400 12299075.6300 13435609.9700 8725152.9270 7057201.7370 6324666.3420 3523918.0790 6681807.4820 4460645.7130
PC(16:2e_22:6)+HCOO PC O-16:2/22:6 1104597.6010 1506225.7040 1305546.4930 1577850.2130 1581870.5750 2629694.3880 1876503.5260 1862694.1550 2424077.0790 1199860.9610
PC(17:0_17:0)+HCOO PC 17:0/17:0 1151685271 1160729431 1190113467 1121039949 1127348130 1451546453 1260494657 1251312558 1402455975 1251466890
PC(17:0_18:1)+HCOO PC 17:0_18:1 283400997.5000 294817656.2000 297528827.5000 293011418.2000 270376511.2000 292794113 229379337.8000 214185386.1000 265956797.3000 222307446.9000
PC(17:0_20:2)+HCOO PC 17:0_20:2 19146617.4900 17625139.8300 18179244.9700 13748988.9500 14934874.4900 22000221.6300 26952394.8200 39452169.1000 24175996.8100 28937399.6000
PC(17:0_20:3)+HCOO PC 17:0_20:3 3017829.6680 2861793.1220 2877675.2520 2779296.2800 2848194.9970 4221628.4900 2484562.2420 2571248.7620 3103370.4140 2935203.4880
PC(17:0_20:4)+HCOO PC 17:0_20:4 4728357.9400 4254690.7860 5601472.0590 5154458.4360 4792974.4650 6176171.6450 4284266.6100 4525006.4570 5300166.5710 4522706.4300
PC(17:1_14:1)+HCOO PC 14:1_17:1 3887867.6870 3217594.5650 3336230.9080 2640595.5290 3589296.4140 5716272.9890 3533753.6560 5802420.4490 5865272.4390 6492253.0540
PC(17:1_16:0)+HCOO PC 16:0_17:1 919788854.9000 978676357.7000 984570806 914902307.9000 882869003.9000 1335093879 1095760639 1051517076 1272415151 1048218934
PC(17:1_16:1)+HCOO PC 16:1_17:1 160486246.9000 165064938.8000 166529842.7000 159311221.7000 152785340.8000 285489309.2000 208861549.1000 196041207.3000 259929594.1000 212960896.6000
PC(17:1_17:1)+HCOO PC 17:1/17:1 15244945.0500 7749552.3400 1835543.1550 777780.0669 1096199.0710 18177858.4900 1829072.0770 3181155.6210 3577849.0850 15107347.7200
PC(17:1_18:1)+HCOO PC 17:1_18:1 554421290.3000 587468153.6000 586649718.3000 569146844.9000 540609644.6000 711681353.1000 580641052.9000 551786213.9000 661890658.8000 566931202.6000
PC(17:1_18:2)+HCOO PC 17:1_18:2 17541531.9800 8563332.8170 7267718.3320 6301691.6590 8992683.9250 7140498.3360 32226664.6700 18595532.3800 10553174.2700 8755780.6520
PC(17:1_20:4)+HCOO PC 17:1_20:4 12498369.4800 13823116.7100 13129466.7300 14696630.1400 12532466.2700 22134004.8200 18873571.9600 16439265.2900 21373393.9800 17388532.3900
PC(17:1_22:5)+HCOO PC 17:1_22:5 2157796.3080 1974178.5220 2222353.4010 1859531.7980 1868670.1780 3661855.7310 2542973.4050 2390544.1860 3135750.7750 2764255.1400
PC(17:1_22:6)+HCOO PC 17:1_22:6 14112886.9300 14791703.1900 13961390.6300 12943481.6100 12193941.7900 26000744.3500 20679231.7400 18529674.1600 23867825.8100 20104009.4600
PC(18:0_16:0)+HCOO PC 16:0_18:0 143307208.3000 148663711.4000 139678397.1000 146125175.3000 125338620.4000 113912250.9000 103252519.5000 98406035.0600 120128117.1000 102460085.2000
PC(18:0_17:0)+HCOO PC 17:0_18:0 22574047.6800 24365528.7200 23154816.3700 23231426.3400 23424527.3300 28969895.8600 19578952.5100 23656982.1500 28408760.7200 22936042.0800
PC(18:0_18:1)-CH3 PC 18:0_18:1 1432242.6450 1710118.7060 1696587.0640 1405479.5950 1062219.7300 3901013.8720 2782830.8720 2504633.0460 3414846.1620 2478951.2440
PC(18:0_18:1)+HCOO PC 18:0_18:1 2819885221 2854289424 2792132077 2755468233 2676114896 3004331531 2365797756 2377640831 2743045358 2261427314
PC(18:0_18:2)-CH3 PC 18:0_18:2 2846718.9630 1151258.3750 1299261.2410 3371490.9710 6603627.1830 1876653.5160 759047.3565 1800752.9850 824145.7363 1252577.2790
PC(18:0_18:3)+HCOO PC 18:0_18:3 3809777.9780 4837758.0650 852455.0730 12005997.6200 3894465.4290 1443668.1970 1594969.8450 6115359.8130 5021915.9130 430745.1072
PC(18:0_20:2)+HCOO PC 18:0_20:2 47914276.5600 48037130.8000 45219553.4200 49201912.6900 53721105.7700 36182669.5500 33841666.5600 38290999.8500 35690724.7000 32340141.0400
PC(18:0_20:3)+HCOO PC 18:0_20:3 49195985.0700 46897613.8100 51005551.9000 52571172.5900 45224965.7300 46315844.4400 39230762.6800 32359350.1800 47252991.1000 38953933.1500
PC(18:0_20:4)+HCOO PC 18:0_20:4 58616456.7500 59101834.0300 61812017.3700 60614161.3100 55590482.5800 90685481.8500 76250086.2300 71617682.5800 85736354.8500 73872990.1700
PC(18:0_22:5)-CH3 PC 18:0_22:5 4298920.0940 9805914.5400 9977950.4850 8489554.7720 4285310.8050 6700361.7400 12917464.7000 7460113.8360 10637941.4000 12247144.2700
PC(18:0_22:5)+HCOO PC 18:0_22:5 6180379.6220 5416115.2490 5535744.9560 5134986.4050 6214592.6760 6056798.4100 5487198.5900 4734329.9990 5257052.8270 5097184.0740
PC(18:0_22:6)+HCOO PC 18:0_22:6 101736367.4000 101286956.6000 99731337.8600 97858645.3300 96568322.6800 175269414.6000 134623188 126644469.1000 159106151.9000 134342494.9000
PC(18:0e_16:0)+HCOO PC O-18:0/16:0 198445578.4000 186630361 210479466.1000 209958543.4000 188589347.4000 207840226.7000 166893745.4000 176469426.9000 185664846.1000 158128718.3000
PC(18:0e_17:0)+HCOO PC O-18:0_17:0* 8211467.6500 8328813.2870 8560991.0200 8058967.5490 7441358.7140 6823034.6080 5645804.0050 5464637.4430 6822888.5960 5123116.0390
PC(18:0e_18:1)+HCOO PC O-18:0/18:1 423014861.8000 430577572.9000 449285567.2000 423457869.6000 426475347.4000 416427147.5000 320646081.6000 337163559.2000 375856364 289658714.7000
PC(18:0e_20:4)+HCOO PC O-18:0/20:4 28698910.1100 31581536.0900 28053402.8800 30664046.0200 27347885.8700 20642044.2600 17074384.8300 17323204.1000 19199662.6300 16666544.5900
PC(18:0e_22:2)+HCOO PC O-18:0_22:2* 15325989.2600 15092967.2300 14684624.4800 14271635.4400 13991433.2300 9558440.6120 6894146.9770 7593603.6040 2186998.2130 6322113.7180
PC(18:0e_22:4)+HCOO PC O-18:0/22:4 9209918.5000 11060828.3100 10951954.9300 11540299.7700 8169884.0990 9261478.6680 7642955.8410 7547217.6060 14655885.0300 7509685.0480
PC(18:0e_22:5)+HCOO PC O-18:0/22:5 46407619.5700 45074515.4800 47403566.8000 46057073.6700 44224520.6900 54706074.7800 40952495.4200 24272937.5500 53481438.0600 23145924.7200
PC(18:0e_24:1)+HCOO PC O-18:0_24:1* 4730715.8040 4767584.8220 5060501.2010 4125256.9740 4115692.8350 4335594.5880 3439437.9650 3274987.8030 4915731.6310 3442038.6440
PC(18:1_10:1)+HCOO PC 10:1_18:1* 246496.9279 29998.6525 101615.1084 224985.6801 102335.3399 59185.8389 175925.5395 14893.2364 61053.4867 114197.8767
PC(18:1_14:0)+HCOO PC 14:0_18:1 4202619366 4448724963 4471286538 4306872676 4153359529 5967441997 4904566701 4604451209 5627719412 4719431786
PC(18:1_14:2)+HCOO PC 14:2_18:1* 1666234.4220 1343359.8220 1534299.0010 1227905.2160 1616641.6740 2454750.0020 2404839.4690 2739085.3020 2411183.3650 2522617.2830
PC(18:1_14:3)+HCOO PC 14:3_18:1* 1866701.7130 2550824.6050 3063047.2920 1706903.5950 2964451.0040 7754327.8680 3806084.9450 3275447.1410 6711862.4640 3023032.3250
PC(18:1_18:1)+HCOO PC 18:1/18:1 5181082928 5145841712 5371867013 5168460269 4935790103 5434086305 4517778809 4338149333 5092052631 4356539323
PC(18:1_18:2)+HCOO PC 18:1_18:2 603892630.1000 612892214.7000 621491838.1000 590997973.9000 586167127.7000 715226849.2000 549123800.6000 531581223.5000 653627451.3000 542360125.1000
PC(18:1_20:2)-CH3 PC 18:1_20:2 13266087.3600 13126057.4300 14106461.3100 11620537.8300 14145757.1000 13752364.9100 8886025.3300 10550123.5100 10912871.5000 9189546.2940
PC(18:1_20:2)+HCOO PC 18:1_20:2 182673879.2000 185900183.8000 202970074.7000 200216790.9000 192509790.9000 160394661.7000 123893153.3000 118766612 144119276.6000 119409129.8000
PC(18:1_20:3)+HCOO PC 18:1_20:3 134946820.5000 133442688.7000 132689444.2000 129699009.1000 124393438.7000 236544301 111127478.9000 117062166.9000 142662271.6000 120145881.6000
PC(18:1_20:4)+HCOO PC 18:1_20:4 227457574.8000 223813502 223144204.2000 213893229.5000 210665602 351838808.3000 278354248.5000 256214909.6000 315215943.4000 272040302
PC(18:1_21:0)+HCOO PC 18:1_21:0 8220833.2410 7952672.6830 8073542.2120 12660779.7500 8178882.3630 7806835.3540 5423267.5510 9905715.8360 6604275.5550 5279304.8090
PC(18:1_21:1)+HCOO PC 18:1_21:1 37685796.6900 45996230.2600 49107009.5700 45094386.3100 44388702.7800 42558114.3900 34084444.4700 32814641.4700 39386141.9000 31346160.8100
PC(18:1_22:1)+HCOO PC 18:1_22:1 165792276.6000 176638648.5000 173654238.1000 167607722 155604184.2000 140818691.1000 119777573.8000 112674478.1000 131636264.5000 106044511.1000
PC(18:1_22:2)+HCOO PC 18:1_22:2 100625169.8000 97580319.6300 107375845.9000 104063567.7000 95879604.1400 66096742.2600 54654473.1300 52155805.3100 60506977.8800 50389767.5700
PC(18:1_22:5)+HCOO PC 18:1_22:5 44709944.5400 42339302.5100 42956139.0400 37751679.6800 42749595.0400 58067853.7600 47453486.8600 46140228.3300 53446429.6000 47463741.8400
PC(18:1_22:6)+HCOO PC 18:1_22:6 141947552.4000 144550587.6000 152446964.4000 141748889.6000 140856650.2000 232392378.4000 197431633 179710823.8000 225487144.2000 188309498.3000
PC(18:1_23:0)+HCOO PC 18:1_23:0 4726474.2640 6560587.6600 5771706.1170 7336346.2550 5959241.4570 6341608.1450 4729826.8870 5515317.9000 4706498.1500 3549284.1500
PC(18:1_23:1)+HCOO PC 18:1_23:1 11459524.8800 10608138.4500 12231974.9800 11404826.5500 10859560.8400 10500900.8000 8671000.5850 7148004.9040 10753351.3000 8053830.7360
PC(18:1_24:0)+HCOO PC 18:1_24:0 71049945.5700 77121286.5300 74349458.1500 71566662.0800 68838547.8000 87586101.9100 57131288.7400 60793143.7500 70553528.3700 50414032.8400
PC(18:1_24:1)-CH3 PC 18:1_24:1 348790782.9000 351763627.7000 350881020.1000 320662511.7000 323217108.9000 595790116.9000 476886819.5000 443982951.7000 542712151.2000 448619634.3000
PC(18:1_24:1)+HCOO PC 18:1_24:1 71167105.4800 90658307.6600 80141352.8700 89480727.2500 68780191.4500 68844533.3400 73828640.8200 65128956.2900 87354036.6900 70083310.8400
PC(18:1_24:2)+HCOO PC 18:1_24:2 44625817.4200 46864348.2300 45300025.0300 46370349 41025544.2600 33577793.1700 28901172.5400 24209395.6800 32748303.8400 26576457.3700
PC(18:1e_16:0)+HCOO PC O-18:1/16:0 5159456051 5286456423 5263034735 5096150381 4826376039 5579064334 4531480523 4306252862 5261327711 4232472373
PC(18:1e_16:1)+HCOO PC O-18:1/16:1 103907368.5000 147951417.5000 171651447.9000 140636529.3000 108317123.5000 127787606 151896618.7000 118963720.8000 181865418.3000 163627285.9000
PC(18:1e_17:0)+HCOO PC O-18:1/17:0 32318426.9400 27530528.4300 28349908.7700 31110392.0400 29612331.5800 33047282.8900 22099972.8500 25093143.1300 31697724.1100 27160905.6800
PC(18:1e_17:1)+HCOO PC O-18:1/17:1 24068826.9400 21270950.1500 24389692.9900 24370874.2100 22843521.4200 31460298.9400 23314679.6400 20766351.8900 22215809.8500 21631043.8100
PC(18:1e_18:1)+HCOO PC P-18:0/18:1 or PC O-18:1/18:1 580866304.7000 581250005.1000 584614871.3000 559164670.9000 535459507.6000 609968278.2000 457890161.5000 443970280.4000 560885480.7000 445094822.8000
PC(18:1e_19:1)+HCOO PC O-18:1_19:1* 11233551.3400 8892069.7100 9680672.6800 12338446.2900 9565447.9810 11077065.2000 6378783.3990 4412725.9060 9309642.9270 5063540.9780
PC(18:1e_20:1)+HCOO PC O-18:1/20:1 18820559.6700 18595739.8000 19222221.1900 18958046.2000 19787977.2900 30928613.3700 30875195.3600 30487576.4900 31277019.2900 31296477.9200
PC(18:1e_20:3)+HCOO PC P-18:0/20:3 or PC O-18:1/20:3 21945820.9300 21853521.0900 21683870.0900 21783101.1900 20788473.5200 25370708.0200 19428240.5600 22767320.2400 23295707.4100 19527129.8300
PC(18:1e_20:4)+HCOO PC P-18:0/20:4 or PC O-18:1/20:4 197612082.7000 191674857.3000 191687046.2000 187626636.7000 185878908.4000 210017609.6000 157455034.5000 149390194 194745803.3000 155630414.7000
Pc(18:1e/20-hdohe) 4229.5679 7819.4563 3351.1406 3458.6579 10970.0858 3065.5188 9259.2624 4107.4481 12074.4289 7014.0434
PC(18:1e_22:2)+HCOO PC O-18:1/22:2 9646669.4320 11255988.0800 9164146.6560 10775110.5800 8538751.2960 6436485.8810 5464453.1280 4144638.6020 5287793.8470 4306642.8890
PC(18:1e_22:3)+HCOO PC O-18:1_22:3* 1238698.2380 1060700.3650 1206371.7170 1064854.4670 1139558.3670 1001126.1750 851216.9884 789023.7271 1027999.6840 676345.6035
PC(18:1e_22:4)+HCOO PC O-18:1/22:4 5035521.3750 6733420.0510 5418781.3930 5043925.8930 4975856.7630 8598640.1580 16251000.4700 8450154.4300 17998762.3000 17575480.2700
PC(18:1e_22:5)+HCOO PC O-18:1/22:5 49460484.7400 42707566.7300 43569077.2600 37375184.2500 40989088.2900 43385595.0300 30360812.8800 38414844.1500 41038272.4600 30620103.0900
PC(18:1e_22:6)+HCOO PC O-18:1/22:6 81784284.2900 84279476.9500 83522899.5500 83816725.4600 78516447.1300 142033036.9000 111743514.7000 113885131.6000 134314293.1000 107714775.2000
PC(18:1e_24:0)+HCOO PC O-18:1/24:0 1060482.1780 927788.0367 852926.2377 746694.0134 1025059.7050 1234382.7460 1037320.4410 529806.8808 1126415.5630 487439.7567
PC(18:1e_24:1)+HCOO PC O-18:1/24:1 4643280.5230 5066580.5550 5157899.8400 4704873.6420 4548780.6320 6901242.4100 7073223.4180 6884842.5170 6794747.2560 6275144.5610
Pc(18:1e/9-hode) 123963.6607 322665.9631 160899.1717 106872.2225 244240.1975 128349.1777 320104.9302 205941.7734 429960.3664 272413.3947
PC(18:2_22:6)+HCOO PC 18:2_22:6 16643825.4400 15736055.1800 15746958.6200 13412840.7300 15203313.0200 14309172.7800 19080954.8800 17293448.4700 24179759.4100 18801054.8200
PC(18:2e_17:1)+HCOO PC O-18:2/17:1 11202932.4400 2194415.1110 2799737.5610 2496469.6960 5802481.6880 3095953.3800 9945086.1850 3404917.4720 4059669.1290 4258151.7960
PC(18:2e_18:1)+HCOO PC O-18:2/18:1 423089911.2000 436972532 424724241.9000 426447178.5000 352205012.7000 534432146.8000 435906965.6000 419346141.5000 510299364.9000 405496705.2000
PC(18:2e_20:4)+HCOO PC O-18:2/20:4 238110585.1000 237688007.2000 243025414 233127422.3000 223379701.9000 226453604.2000 172323496 176363965 210438804.9000 172062249.9000
PC(18:2e_22:1)+HCOO PC O-18:2/22:1 3412158.3550 7917699.0170 5566954.5560 5708481.2700 3596252.1070 3625951.8290 2497900.1620 2952170.1760 8061378.9730 2757578.6320
PC(18:2e_22:5)+HCOO PC O-18:2/22:5 115346427.1000 109123247.4000 115015680.5000 109689289.6000 105358639.7000 126269684.9000 92193635.4500 88750245.7700 111924710.8000 90063597.7100
PC(18:2e_22:6)+HCOO PC O-18:2/22:6 134800311.7000 130113186.3000 131672719.6000 128453344.1000 124034668.5000 216339754.2000 169659115.4000 162188970.5000 200644257.8000 169769244.6000
PC(18:2e_24:1)+HCOO PC O-18:2/24:1 2395721.8370 4094032.8690 2932337.9380 2822007.1380 2308033.3650 3229917.6280 2522998.0360 2194347.0500 2675228.8270 2311876.4910
PC(18:2e_24:2)+HCOO PC O-18:2_24:2* 13240391.4000 13003692.3400 12893455.3700 12303061.2600 12292290.4100 16253570.3300 10812897.3300 10279437.9500 13563454.4300 11613867.5000
PC(18:3_22:6)+HCOO PC 18:3_22:6 164846.8626 277509.8179 109760.1303 211251.3645 158975.7527 73528.8842 558881.2611 406897.3842 511914.0648 430106.0564
PC(18:3e_19:1)+HCOO PC O-18:3_19:1* 7963749.1400 9077864.5150 8088699.8640 8502490.1120 7055791.4380 8439890.5360 6583064.9020 6293125.8400 7947429.4490 6531568.2340
PC(18:3e_24:2)+HCOO PC O-18:3_24:2* 3803150.5370 3711525.1520 4095679.4640 3541869.6330 3545141.9870 5134285.2700 3598366.6580 3355653.0640 4566438.9380 3191273.2190
PC(18:4_18:1)+HCOO PC 18:1_18:4 1320028.8390 1614748.3000 1408416.8980 1624909.6030 1649674.9850 1561701.6340 1913216.8650 1397361.4500 1278683.3840 1623606.4220
PC(19:0_18:1)+HCOO PC 18:1_19:0 76878548.8700 59180262.6700 69874104.1700 99112747.1300 138156354.5000 126227382.7000 75998922.2600 95533606.6100 111834867 63167736.4700
PC(19:0_20:3)+HCOO PC 19:0_20:3 21205910.2800 21354781.1300 16328010.4000 17015320.3500 19883627 18121867.5800 14080151.1200 13415982.4700 17462503.6200 10673751.8400
PC(19:0_22:4)+HCOO PC 19:0_22:4 18633986.4900 18167178.3700 17665517.9600 18173630.5600 18988004.8800 22365084.7900 23795172.5600 22707732.7600 20809039.1400 22435117.9700
PC(19:1_14:3)+HCOO PC 14:3_19:1* 129509.8757 437719.3480 559689.7661 68469.2180 568466.0457 131418.2188 475788.5378 673307.2590 673065.4698 667001.3807
PC(19:1_18:1)+HCOO PC 18:1_19:1 272375174.7000 275684313.1000 273247324.7000 269690311.9000 258294358.4000 243908309.6000 205244065 195420843.6000 242061345.5000 187622261.2000
PC(19:1_18:2)+HCOO PC 18:2_19:1 31998908.6900 32202617.1200 35145314.3400 32191238.9800 29221339.1100 33990204.0600 27551701.3000 29612214.8000 31263617.9300 28163095.6600
PC(19:1_20:3)+HCOO PC 19:1_20:3* 3800900.0890 3153145.9440 2909701.7890 3363483.7120 3101280.5970 2501344.8690 2804521.0430 2682635.3600 2859188.5490 2449931.5840
PC(19:1_20:4)+HCOO PC 19:1_20:4 5927914.3910 7053235.5560 6110834.8470 6050891.0870 5718278.6640 9268038.4040 7457897.9170 6687951.2190 8263693.3030 7043992.8150
PC(19:1_22:2)+HCOO PC 19:1_22:2* 5799194.4150 5994805.9350 6561822.3480 5809790.6040 4843157.5190 4456598.5660 4010943.9220 2773297.8910 4785440.2500 3090648.0380
PC(19:1_22:5)+HCOO PC 19:1_22:5* 1320924.5490 1192913.8490 1417317.9310 1503395.5990 1123855.7000 1374044.3840 1361040.7180 1123459.3550 1691408.1800 1178270.3740
PC(19:1_22:6)+HCOO PC 19:1_22:6 1182830.4450 1461562.6520 1435394.5510 1200564.0400 1351576.1760 1800374.1000 2040517.0440 2080355.3800 2045829.2420 1866394.1720
PC(20:0_16:0)+HCOO PC 16:0_20:0 12813876.7600 11307594.2900 8180215.3680 11758450.7500 10540120.1900 8352023.4440 4273817.0930 6091821.7840 8670908.2380 5274292.7940
PC(20:0_20:4)+HCOO PC 20:0_20:4 4374050.3520 3226736.3930 3611182.5290 3121173.9220 4192321.1210 6615513.9730 4578846.7360 4734400.8580 5104666.4510 3964588.7660
PC(20:0_22:6)+HCOO PC 20:0_22:6 93582496.4400 97324469.1700 103408804.2000 96060762.6200 93002584.2000 143346590.8000 127144430.1000 107213454.1000 134808209.9000 121004632.7000
PC(20:0e_16:0)+HCOO PC O-20:0/16:0 18095370.8100 19244183.0300 18453232.2100 17743865.9200 16978371.9700 21881971.1000 16953230.0200 17117286.6500 18519075.3500 15358958.5700
PC(20:0e_17:0)+HCOO PC O-20:0_17:0* 1063760.3720 1461142.4730 1195109.2230 1380091.5340 1134836.5130 1471844.6900 1037599.4590 1192495.3900 1505751.0490 1381775.8270
PC(20:0e_18:1)+HCOO PC O-20:0/18:1 39144178.5300 37801223.7000 40580909.4100 38037855.9500 39150195.4700 39619718.7700 28876867.1700 30735589.2400 37283383.9500 27269515.9300
PC(20:0e_20:4)+HCOO PC O-20:0/20:4 16958849.1700 17774781.6900 21187568.7000 15787555.2900 15308310.5600 15935658.2600 12462627.8800 11132794.1100 15130502.0900 15434350.4400
PC(20:0e_22:5)+HCOO PC O-20:0_22:5* 21954224.9100 21173332.7000 24712089.3300 22586245.9500 23613205 25589115.5000 19201118.8100 21501561.0800 26714323.4400 19744407.7500
PC(20:0e_22:6)+HCOO PC O-20:0/22:6 6190229.3340 8191716.4850 5864747.7180 5969289.9340 5805480.9160 7281833.3540 7604229.5000 5318526.8380 7067860.8430 5586722.0680
PC(20:1_18:1)+HCOO PC 18:1_20:1 1088754978 1077524715 1078244574 1057646886 1016407436 908743465.5000 758999038.8000 776436801.8000 836079956.6000 737217212.5000
PC(20:1_20:3)-CH3 PC 20:1_20:3 3396170.0340 3524900.6900 2649441.5790 3355061.4100 1912767.0860 4406420.3920 3982748.9210 3443791.1590 4609651.3200 4598070.3490
PC(20:1_20:3)+HCOO PC 20:1_20:3 36031010.8200 30467191.1000 29440808.5900 28884687.2900 23123964.3300 20747935.2900 24570059.5300 17998080.3800 25151976.2400 21734050.0900
PC(20:1_22:5)+HCOO PC 20:1_22:5 11759695.9700 12787060.5700 12669389.0100 11924631.8300 11206588.7500 17385569.8000 16033150.7300 15420283.9200 12731851.8600 15414902.7200
PC(20:1_22:6)+HCOO PC 20:1_22:6 24082995 24596087.5800 25878764.9200 23605403 22622088.7200 30490766.2000 26362896.3300 24128677.8200 28716982.3500 24842747.5700
PC(20:1e_16:0)-CH3 PC O-20:1/16:0 1348335.9930 1439747.6810 1466378.1370 1257645.1070 1187377.7990 2716059.0190 1954864.5010 1931998.1750 2285835.2700 1766319.5100
PC(20:1e_16:0)+HCOO PC O-20:1/16:0 20259592.6700 22097154.7300 20815101.2700 20909567.6100 19700705.9400 23956063.3000 24314389.2500 24288511.9300 23207987.6300 23923529.7600
PC(20:1e_20:4)+HCOO PC O-20:1/20:4 7401478.5240 8229838.1060 8256909.0780 7689684.9040 7835849.2050 10271646.2800 8040187.5880 7626770.1400 9700701.9480 7858230.3660
PC(20:1e_22:5)+HCOO PC O-20:1/22:5 1079290.4710 803846.1179 1434767.4230 1446179.6370 684029.3552 962526.2045 1290670.2560 682856.0431 942599.3036 756169.7652
PC(20:1e_22:6)-CH3 PC O-20:1/22:6 3179340.3900 8864531.9200 9287917.8630 7438117.3240 3425345.6760 5933909.0660 3773843.7680 7150290.4940 7582320.5850 4109967.7250
PC(20:1e_22:6)+HCOO PC O-20:1/22:6 5592890.2180 5750089.3290 5024970.7830 6106341.6800 6275984.7550 8804539.7880 10764730 8148829.0100 13153971.3800 10738574.2900
PC(20:2_18:2)+HCOO PC 18:2_20:2 2219058.6550 2605791.3350 2773811.1500 2755642.2900 2550192.3500 2000619.7830 1213176.8450 1117972.7700 1660536.8610 1390599.3460
PC(20:2e_22:6)+HCOO PC O-20:2/22:6 7966431.8190 7344614.9920 7227029.6770 5713195.2640 5728637.7130 6543132.6080 7638456.0450 7931949.7400 6285992.8580 8131829.3040
PC(20:3_22:6)+HCOO PC 20:3_22:6 1323529.9140 3538227.8350 3055710.8200 3467333.5300 1299521.6740 4399407.1660 5378127.9770 1840573.9240 2978448.0020 3611314.7970
PC(20:4_22:6)+HCOO PC 20:4_22:6 1650750.5760 1882292.6750 2053837.9570 1803792.7880 1635233.4230 5071494.9100 3239914.1760 2826988.5240 3990832.7220 3244271.0110
PC(20:4_23:1)+HCOO PC 20:4_23:1* 4862856.1300 4952116.1300 4620525.0550 4131750.8460 35092461.5400 7784722.7770 9091662.2690 8294161.3450 8158573.4420 8007031.4510
PC(20:5_22:6)+HCOO PC 20:5_22:6 155972.7150 242387.4712 216947.3288 212309.4650 200161.6675 603911.9069 363503.7240 252927.5586 437354.0880 376697.4268
PC(21:0)+HCOO PC 21:0 267945.4540 260184.9291 241708.5273 152662.4328 292068.9029 489776.3761 339029.0472 269430.2897 384927.9574 259606.0620
PC(22:0_20:4)+HCOO PC 20:4_22:0 1547574.4800 1388947.5040 1623262.5670 1364442.8880 1295678.4700 1987790.6580 1807613.7520 1825667.7370 2023027.2530 1671470.7540
PC(22:1_18:2)-CH3 PC 18:2_22:1 2915040.3170 1067809.7630 775789.1984 3147691.1980 2832402.3470 4094436.1100 3197284.9220 3027636.8130 3621884.9470 3034608.3920
PC(22:1_20:4)+HCOO PC 20:4_22:1 5617947.3020 6415090.6000 6581041.7970 5797486.4580 5761649.0530 7310921.9680 6820831.0710 6711899.8990 8390456.9830 6362865.7540
PC(22:1_22:6)+HCOO PC 22:1_22:6 3705627.8990 3448741.3250 4239330.8980 3999801.3000 3901001.4220 5584732.2350 3052074.1960 3133944.2080 3911392.9630 2837119.1050
PC(22:5_18:2)+HCOO PC 18:2_22:5 6020708.7520 6181317.9250 5474384.6090 5483693.1060 5505274.6360 9509527.0640 6467331.6600 6055997.7830 8366451.7420 6476011.4330
PC(22:5_22:6)+HCOO PC 22:5_22:6 619397.6800 858143.3878 751086.0604 766973.8307 734582.4746 1519394.0990 1650555.6800 947649.0908 1411042.0400 1375841.2740
PC(22:6_22:6)+HCOO PC 22:6/22:6 1772858.6960 2063507.1740 1849095.6870 1966989.4760 1746354.6500 4486023.8220 3423400.4870 2618933.1610 4269447.3630 3415379.5000
PC(24:0_20:4)+HCOO PC 20:4_24:0 1858749.8400 2139720.2070 2244045.7190 2102998.2500 1976177.8800 2758100.5880 1971246.3990 2194685.3310 2457455.9760 1875206.2890
PC(24:0_22:6)+HCOO PC 22:6_24:0 3221849.5750 3334221.9580 3355213.0330 3191051.8900 3002291.9630 4316140.3760 3272458.2340 3393470.0390 3699022.3700 2884356.4180
PC(24:1_20:4)+HCOO PC 20:4_24:1 3528335.1290 5387924.7990 3906343.0790 4530359.2590 3371822.6280 5284147.0790 4672025.1750 4123254.9910 5250848.9430 4014249.2240
PC(24:1_22:6)+HCOO PC 22:6_24:1 4679319.5400 4380098.4520 4834356.7960 4315700.2850 4410245.2430 6762076.6600 5325256.6240 5091971.4630 6102942.3440 4851294.7290
PC(24:2_18:2)+HCOO PC 18:2_24:2* 10888241.0200 11443734.2700 9325613.1710 11127200.1900 7825656.1400 5932309.2160 6018645.6700 5080410.9900 10214162.3400 8697212.4850
PC(25:0_16:0)+HCOO PC 16:0_25:0 1612704.9010 869666.0639 1396362.1380 1287587.0170 752754.5964 1125012.2970 488595.0734 936174.8883 1074769.8630 446805.9665
PC(25:0_18:1)+HCOO PC 18:1_25:0 3252780.2420 4640943.0720 3527333.7660 3467562.9270 3210374.1750 3627557.3730 2702609.5680 2606564.8110 3073756.8710 2667232.3500
PC(26:0_16:0)+HCOO PC 16:0_26:0 4426235.2390 5188120.2710 4703550.1130 4574726.3730 4003436.5870 4581392.2680 3577467.0400 3677480.3970 4129830.2400 2931718.1940
PC(26:0_18:1)+HCOO PC 18:1_26:0 17768904.2300 19777202.1300 18770496.6400 18425328.5900 16652065.8000 19625836.8700 14601586.4700 15230172.9800 17043239.8200 12827959.5400
PC(26:0_20:4)+HCOO PC 20:4_26:0 1069925.8850 1021828.7750 1050218.6150 975234.7354 938840.0105 1433260.3570 1122707.0210 1105810.9540 1200838.8480 910826.8942
PC(26:0_22:6)+HCOO PC 22:6_26:0 905512.2348 928256.5006 862314.9165 906560.5296 822661.6325 1579783.8400 1208430.5990 1004008.3700 1375524.9390 861588.9588
PC(26:1_18:1)+HCOO PC 18:1_26:1 34449543.4800 34079185.3300 34216553.2200 32665992.0900 31009262.7100 41556696.0700 28400421.9300 25726738.7100 34166403.9700 25172122.0800
PC(26:1_18:2)+HCOO PC 18:2_26:1 11706580.6400 9223147.2040 8934516.3980 13343787.0600 11676631.8300 8439699.7790 7132300.6790 8072699.2920 7860012.9370 8856382.6850
PC(26:1_20:4)+HCOO PC 20:4_26:1 2481309.7520 1031879.6860 1858999.5620 2114412.4610 1512105.9120 2898180.9920 2443968.6520 2257600.1980 2597649.3990 1994692.6940
PC(26:1_22:6)+HCOO PC 22:6_26:1 1538146.4260 1371632.7700 1454090.4880 1561887.6110 1389178.2180 2742406.8610 2151415.3650 1777538.1950 2223855.6620 1826845.2290
PC(26:1)+HCOO PC 26:1 1444516.9250 102704.9867 126944.5593 60039.7098 116218.3214 314681.6182 349347.9140 76828.8505 257269.8772 28592.9145
PC(27:1_18:1)+HCOO PC 18:1_27:1* 466443.6280 5790451.2810 5501494.4220 293351.0123 6115921.2510 746661.6683 375648.7639 321196.7929 5357542.5730 272236.1087
PC(28:0_16:0)+HCOO PC 16:0_28:0 562258.9927 731061.1547 657253.2569 630949.2259 581497.5448 597569.6149 429999.0765 498499.2667 499889.5365 615476.6540
PC(28:0_18:1)+HCOO PC 18:1_28:0 960924.9063 1062131.9700 940055.5732 893395.7907 909288.7265 966924.1182 817287.1609 693678.8551 879119.7933 622198.3959
PC(28:1_18:1)+HCOO PC 18:1_28:1 2345663.7410 2403806.2840 2044200.9320 1923490.7700 2152483.8130 3810383.5840 2471723.8150 2276521.7420 3180827.0470 2168546.8060
PC(28:1_22:6)+HCOO PC 22:6_28:1* 803024.5242 734277.6746 1069678.3880 216559098.7000 586281.0096 2723253.7690 2021997.9440 1708065.0670 3186897.1670 2196039.1370
PC(28:2)+HCOO PC 28:2 1795871.6680 199822.4468 227534.9109 113694.0425 77327.3757 476768.0806 281402.9668 80383.2171 187518.9320 183464.5287
PC(30:1_22:5)-CH3 PC 22:5_30:1* 6007299.4060 9955448.5640 6333813.0110 6630978.5950 5890879.6850 11245319.2100 8458951.0910 9929812.7940 9955115.7130 4858862.5950
PC(30:1_22:6)-CH3 PC 22:6_30:1* 2233440.3920 1969447.7950 2196698.9730 2129493.4860 1798628.6780 3472546.3020 2743456.5770 2818139.5810 3140193.0380 2990926.5210
PC(32:1_22:5)-CH3 PC 22:5_32:1* 3880477.2240 5898816.8070 4474531.0590 3727016.0120 4240179.4900 8075385.9310 5407899.1280 4961247.5130 6408172.0080 7049082.0350
PC(32:4e)+HCOO PC O-32:4 1299228.5250 1107909.8210 1383247.0590 1081926.4180 1080404.0690 2784525.6700 1851711.2350 1576380.1770 2237166.1070 1577440.9120
Pc 33:1 PC 33:1 17293.3579 20059.8730 16166.8664 11539.3350 30962.2084 13496.5093 31769.2630 17621.1499 45540.9073 25088.6789
PC(34:1e)+HCOO PC O-34:1 503373.4961 536886.1781 456245.4673 415525.2238 198005.2716 367075.6426 395181.4130 361911.7844 162822.7816 332644.3491
PC(34:5e)+HCOO PC O-34:5 276841.4168 280129.4964 327370.2865 314306.4021 288150.4832 433288.4430 199425.7090 269637.6157 358586.2478 332642.4775
PC(36:3)-CH3 PC 36:3 178347.6284 1307626.7940 1081002.1560 497356.7612 459361.3200 600857.8144 1423605.6780 1146807.4030 699777.0445 1570760.1710
PC(36:7e)+HCOO PC O-36:7 189188.9076 173354.5755 260083.6410 207107.3431 289439.3806 457845.2267 286901.0893 408175.4023 429361.2295 372866.8416
PC(37:6)+HCOO PC 37:6 278490.6909 1354219.0880 1371239.0780 3556226.1250 1407406.1960 114934.3963 837110.6368 703225.8975 606198.8730 1307955.4180
PC(38:1e)-CH3 PC O-38:1 4428972.2890 4605528.8830 4526559.2020 4109088.6400 4140926.6310 5548727.1220 3903536.3230 4034934.3560 4695444.8520 3535124.4460
PC(38:2)+HCOO PC 38:2 82024.1685 1689008.1180 949524.3858 1468145.9680 709689.2479 458351.3905 209964.0367 369977.3977 156304.0215 235326.8854
PC(38:7e)+HCOO PC O-38:7 3882308.3420 2218913.1230 2218752.2150 3264858.9260 3183178.8640 7077343.8040 2447730.2700 1444532.8250 2587494.6750 2982000.0860
PC(38:8)+HCOO PC 38:8 6065249.4390 4920219.5420 4846615.7740 3735828.0500 3647057.6770 6859204.2750 6342807.3990 6561458.0180 5453887.8100 6853400.2090
PC(39:1e)+HCOO PC O-39:1 10702997.9000 10938853.4800 10729280.2200 10026696.9600 10185091.0600 13707976.3100 11330660.1600 11067649.1700 12136506.4500 10946551.6000
PC(39:3e)+HCOO PC O-39:3 1272131.5690 1877659.2200 1031048.0790 888300.9079 647620.3689 610767.9456 2519756.8980 902198.9997 2643346.1770 362423.3861
PC(39:5e)+HCOO PC O-39:5 3396752.1840 3787535.4070 3952203.9480 3175595.6390 2684094.6890 3646316.1450 2854410.1890 2558019.6220 3581165.7970 2372136.7930
PC(4:0_11:0)+HCOO PC 4:0_11:0* 2786835.3860 381584.7327 471658.9254 181028.9886 429760.6660 735258.2399 852919.3881 433571.2930 902414.8729 553495.9843
PC(4:0_13:0)+HCOO PC 4:0_13:0* 9582678.1210 1486783.3270 1663658.4000 804690.8360 1761012.2540 4162811.9410 4169320.5990 2238547.9050 3306010.6130 2576415.2940
PC(40:4e)-CH3 PC O-40:4 1645523.8000 1879419.0480 2144004.7430 1725635.3570 1589807.0870 1910547.4170 1692387.4970 1669657.9350 1901429.3420 1808431.1670
Pc 40:7 PC 40:7 6372.1845 11412.5136 8360.4082 5290.2714 16593.9156 4270.0199 18565.8559 6656.3328 16750.9639 9271.0645
PC(42:7e)-CH3 PC O-42:7 554205.3740 2769995.9760 2465598.7590 2631497.3890 360611.2598 682924.8124 798410.6656 613710.0355 1349751.2040 506299.0587
PC(42:9)-CH3 PC 42:9 3374625.9600 3855406.2980 4673324.5050 3383542.7440 3388161.4720 3577230.7320 3909189.2080 1931536.8490 2885436.9240 2869150.0720
PC(43:6)-CH3 PC 43:6 44871974.7100 43459135.7900 45039750.6000 41464343.1400 41675752.4900 64440738.2100 54805715.7800 45299155.9400 58273687.6900 52769012.4300
PC(44:1e)+HCOO PC O-44:1 756993.6670 1211646.3280 1025791.3850 1257023.8020 749722.0091 854359.2590 940319.2205 799790.8466 812999.3353 707648.3965
PC(44:3e)+HCOO PC O-44:3 2682480.5040 2132707.5340 2482026.4660 2106213.7900 2470285.5830 3272140.3770 1731610.8760 1670975.9520 2728837.4380 2008144.6240
PC(44:5e)+HCOO PC O-44:5 7524350.3380 7401427.3280 7557884.9620 7189077.6060 6685832.4300 9046155.9350 5826881.9820 5728820.7780 7745976.3810 5437654.7730
PC(44:6e)+HCOO PC O-44:6 11833677.5200 12338702.1300 12671046.0500 11613571.6900 12607180.5800 15566247.9800 11200217.7700 11687735.7800 15438444.5800 9761676.0190
PC(45:5)-CH3 PC 45:5 5422860.6200 5926337.3290 5540142.4420 5548132.4760 5166963.1200 7036019.8790 5446032.8640 5012313.0720 6308316.6740 4843955.9710
PC(54:7)-CH3 PC 54:7 5583881.4950 5439098.5540 5223901.9690 5132298.6330 4802032.4190 6006143.9610 4358981.0760 4094750.8160 5163550.2650 4475879.2790
PC(6:0_11:1)+HCOO PC 6:0_11:1* 7340774.7540 1182842.0170 1215375.4020 661233.3060 1152470.8890 3851461.9620 3273665.6250 1849882.2280 2694990.8890 1879421.0080
PC(6:0_12:1)+HCOO PC 6:0_12:1* 496176.0399 55709.8415 44297.9303 126863.4523 45893.4683 186075.2890 292326.3884 30528.7726 144858.1561 105533.1861
PC(60:7)-CH3 PC 60:7* 158912.9205 163271.3315 158638.3156 172355.2657 169985.2667 431260.7891 291094.6010 235483.2138 402343.7172 268187.8067
PC(8:0_11:1)+HCOO PC 8:0_11:1* 23319769.1300 4230411.3670 4124615.6430 2463031.3930 4658376.0500 13354901.3200 11792450.5000 6002457.4750 9989781.3430 6482862.2420
PC(8:0_11:2)+HCOO PC 8:0_11:2* 1821831.5470 1651087.5850 1773225.4620 1453010.8370 1706511.1490 2246478.6300 2084483.3200 1773822.4150 1535563.5460 1621785.6310
PC(8:0e_18:2)+HCOO PC O-8:0_18:2* 944003.6890 745142.0726 716339.6415 707748.4843 759081.3900 1281568.5750 733306.4126 575382.6428 546726.3963 466194.3682
PE(10:0_11:2)-H PE 10:0_11:2 4866017.2790 4953914.9030 5737245.6130 4726148.9170 4794130.1750 4930355.4300 4042497.7780 4340851.3350 4129479.9440 3829596.7710
PE(10:0_11:4)-H PE 10:0_11:4* 25634090.0700 4967213.9240 4525190.5150 2964072.2400 4840918.5240 14186931.3400 12856835.6000 6424320.1550 9979435.0820 6876571.3760
PE(11:0_10:3)-H PE 10:3_11:0* 3694930.3870 4116530.0720 3948229.9290 3356890.7660 3339367.3610 3803342.3050 3142291.4600 2820223.4090 2775417.9000 2644142.4780
PE(12:1e_20:4)-H PE O-12:1_20:4* 1039176.3560 1061150.3820 989244.4675 1100985.1510 1270357.9470 3152600.2930 1847995.7940 1890825.9880 2578872.5270 2190056.5970
PE(12:1e_22:6)-H PE O-12:1_22:6* 1352256.6820 1441685.3210 1463344.3150 1303617.1940 1239644.2340 3689863.4610 2687094.7140 2617809.1730 3245975.0640 2687995.8210
PE(14:0_20:4)-H PE 14:0_20:4 485398.7739 698124.0743 734771.3254 206600.4040 340389.5269 954931.8146 908044.4473 348060.7772 1104569.5120 692795.0924
PE(14:0_20:5)-H PE 14:0_20:5 462801.7276 210748.3496 346250.2954 509820.3566 296122.7532 1091808.2910 574212.8687 939251.4211 847689.9813 542233.8357
PE(14:0_22:6)-H PE 14:0_22:6 11702243.2000 11797253.5500 12657583.5000 10188351.0100 10421257.3900 21841920.5300 17512715.5600 16572698.9000 19702558.8100 17539482.5200
PE(14:1e_20:4)-H PE O-14:1/20:4 3623827.1240 5207254.6800 5146941.8560 4653020.2270 4368509.9910 6020613.7210 5657212.2920 6128975.6840 6971628.5850 6394371.9980
PE(14:1e_22:6)-H PE O-14:1/22:6 7354838.5520 7895337.8230 7681073.8180 7687438.9600 6625039.3000 11864498.3600 9083570.2010 8040290.3280 10910853.5800 9558396.0340
PE(15:0_16:0)-H PE 15:0_16:0 2237167.9640 2267146.1240 2046840.9460 2494301.6080 2131800.2380 4972905.5470 3615142.6600 3286029.1070 3947855.7060 2883311.6140
PE(15:0_16:1)-H PE 15:0_16:1 7194440.1070 5203204.0840 4738384.2990 5469465.7020 7201626.3610 9510519.7060 5733929.6620 10166185.1500 11338184.2500 6402876.1540
PE(15:0_20:4)-H PE 15:0_20:4 2948785.0270 2815418.2760 3566576.7110 2986026.3770 2609108.4460 5421875.0150 4328588.3260 4425530.5730 5676522.9750 4508782.7100
PE(16:0_14:0)-H PE 14:0_16:0 8385950.6850 8419710.0990 7733337.9890 7199202.7680 7342829.9450 13006184.3300 10476000.0800 9149084.3010 11478428.2700 9909449.4210
PE(16:0_16:0)-H PE 16:0/16:0 26063642.5800 27431336.9300 23506403.7500 23565122.1400 22447580.4300 46916521.3900 36239666.8600 34269469.4900 39616209.5700 32915356.9200
PE(16:0_16:1)-H PE 16:0_16:1 263932575.6000 272310304.1000 337870730 257373874.2000 259797948.3000 607916423.8000 389318607.3000 465191343.5000 541544907.7000 481531248.9000
PE(16:0_17:0)-H PE 16:0_17:0 7000786.5490 5974971.0470 5891474.4550 6963258.9780 7048754.7030 7046430.8560 5717380.5430 6341013.9240 7415858.0230 6517496.8930
PE(16:0_18:1)-H PE 16:0_18:1 2953832709 3061515896 3090525131 2968615545 2859394510 5586317822 4525368555 4565372608 5184411766 4528956065
PE(16:0_18:3)-H PE 16:0_18:3 3691489.1520 3188737.6570 3641538.2740 2748868.5810 3397247.3060 5678254.8750 4865386.7330 3980500.5650 5089628.6100 4761074.1430
PE(16:0_20:3)-H PE 16:0_20:3 39629797.6600 42277526.4600 41601316.4200 40968852.5900 36605406.8400 43559595.3000 35871013.7700 27861559.0100 38410801.2100 32189533.4700
PE(16:0_20:4)-H PE 16:0_20:4 370366089 373704439.6000 372788585.4000 362384451 354776963.4000 548368597.9000 436436857.1000 428847899 508268799.6000 443596696.4000
PE(16:0_20:5)-H PE 16:0_20:5 27707647.0300 28641698.4000 30439477.0200 29446949.3900 25225884.7900 50457174.3100 39039363.7200 34186890.3000 48929780.4000 41193079.5500
PE(16:0_22:6)-H PE 16:0_22:6 162669439.5000 171899674 172821162 162975841.7000 157395703.3000 356000591.1000 310908461 280187698.9000 335156948 291060609.3000
Pe(16:0/8-hepe) 588.6840 464.1425 525.2223 51.5231 234.9656 1469.1912 4207.1579 545.4311 778.8402 612.6486
PE(16:0e_16:0)-H PE O-16:0_16:0* 9223475.4660 5583147.7840 6867459.1850 4712832.2670 7852699.4030 8988814.3390 5341681.5930 7315572.0810 7898803.1930 6337781.0520
PE(16:0e_16:1)-H PE O-16:0_16:1* 2110821.2760 2127556.9950 2852817.3040 2751157.5440 2985191.1840 4539892.6450 3731391.6670 4143654.5440 4360223.4100 3247636.4150
PE(16:0e_22:5)-H PE O-16:0_22:5* 73524380.1800 69662028.9500 67205209.1600 68912258.3000 65944957.5200 105450142.8000 87755154.2300 80770222.8400 98145489.8400 85242149.9900
PE(16:1_14:0)-H PE 14:0_16:1 10613055.1100 8790242.3090 11163978.0200 10706980.5300 9935130.1660 20464465.9700 15422175.9500 13511495.7300 18128843.0900 15487445.9700
PE(16:1_16:1)-H PE 16:1/16:1 50547713.0500 52114801.4200 54012094.1900 50305008.2800 48358850.3000 102138578.7000 78013261.7000 68149780.6700 92869126.7900 79719605.2400
PE(16:1_17:0)-H PE 16:1_17:0 66788615.5000 68425361.6000 67778951.4200 66154746.8600 65933234.5700 124456859.7000 110440836.5000 96932396.1200 124599546.3000 112336166.7000
PE(16:1_18:1)-H PE 16:1_18:1 379492284.2000 539082355.2000 550894543.2000 529356431.7000 511356552.9000 952766858.9000 559031372.6000 721863002.3000 876669895.2000 784505082.9000
PE(16:1_18:2)-H PE 16:1_18:2 31983042.6000 32428829.9600 33494287.3600 24872196.4100 30970032.4100 55731018.1100 42440295.9100 38042311.1600 51643408.2300 45147103.7700
PE(16:1_22:6)-H PE 16:1_22:6 44137868.7500 45274019.4500 47608389.7600 44344257.9700 43384285.3000 89361048.6400 63735468.9500 59183469.0200 80351523.0500 67122614.7200
PE(16:1e_14:0)-H PE O-16:1/14:0 10131696.7200 8813168.1940 8946369.6140 9101196.7690 9040636.0410 18148230.8500 13910129.2000 12797416.4900 15932676.6400 12882755.4200
PE(16:1e_14:1)-H PE O-16:1/14:1 1526300.1720 2056564.9350 2154211.9940 1698205.5290 1517587.1930 3629977.2140 3409482.8330 2845478.8710 3437300.6710 2900080.6970
Pe(16:1e/14-hdohe) 62843.4531 129638.8240 77924.6854 48467.5231 266353.6116 29010.5944 124156.5899 52740.0002 182089.6353 88935.7170
PE(16:1e_15:0)-H PE O-16:1/15:0 3058153.8140 2176731.8090 2649921.7620 2402926.9330 2563146.9880 5894391.7150 4375954.9050 4151759.1760 4736500.3680 4563475.1050
PE(16:1e_16:0)-H PE O-16:1/16:0 60440280.4800 60397347.4900 60114854.0200 57432581.8400 54484590.6200 114095090.8000 95735797.3900 94314499.7700 104511662.3000 82889006.8900
PE(16:1e_16:1)-H PE O-16:1/16:1 188544053.4000 180737328.9000 211751469.9000 183915980.4000 174663898.7000 306811864.4000 245212135 241341018.3000 312800544.5000 271957715.3000
PE(16:1e_17:0)-H PE O-16:1/17:0 9181786.6940 10298871.0400 9507613.7940 9040812.8770 9532320.6490 13076317.9100 11141854.0800 10516030.1600 12810154.6600 10833302.1200
PE(16:1e_17:1)-H PE O-16:1/17:1 47295103.8600 48600357.0800 47785388.0400 51397074.3300 45825232.6400 79698542.5700 62174295.5700 63024568.1400 73813242.6000 61765870.3800
PE(16:1e_18:1)-H PE O-16:1/18:1 1651244327 1894476917 1921431169 1866068658 1623497742 2699181884 2307501537 2120672744 2528121692 2175935090
PE(16:1e_18:2)-H PE O-16:1/18:2 66963762.6600 67273368.9700 65077983.7000 65112765.3700 61388438.8500 111637655.8000 95235410.4300 85166336.2100 103727196.4000 92667253.6300
PE(16:1e_18:3)-H PE O-16:1/18:3 3793017.0670 3686645.5820 3457053.1050 3272576.0060 3719814.3800 6205727.3940 4952463.4600 5460131.2890 5402672.8260 4935573.5520
PE(16:1e_20:3)-H PE O-16:1/20:3 52504395.7400 55209201.9600 55529031.6400 54033875.7700 54782849.2300 63927647.3100 49042654.1700 55799767.4100 57174967.6800 54795593.0500
PE(16:1e_20:4)-H PE O-16:1/20:4 1071683121 1062815864 1063111178 1087398409 1018216455 1492030206 1163266337 1153851972 1342641649 1177145328
PE(16:1e_20:5)-H PE O-16:1/20:5 157039270.4000 175148010.6000 170755446.5000 163946995.6000 158489166.9000 206244472.2000 172891416.3000 178756276.5000 197327387.4000 173208641.7000
PE(16:1e_22:2)-H PE O-16:1/22:2 59275111.5700 61597948.7400 61717578.6500 59734980.8500 57698819.0700 70308913.4100 55179879.1400 53082716.0900 62299064.8300 51587665.5400
PE(16:1e_22:5)-H PE O-16:1/22:5 570178745.9000 591837917.1000 573027684.4000 587555980.7000 537542387.8000 820115131.6000 694437104.9000 646501892.1000 788840470.8000 704367863.3000
PE(16:1e_22:6)-H PE O-16:1/22:6 1639174761 1779711544 1775395522 1754783769 1635311555 2297415435 1962049273 1847664934 2107384847 1900351871
PE(16:2e_16:1)-H PE O-16:2/16:1 2113728.4790 2142747.8890 2080058.9010 2171740.9080 1792017.5290 4092004.8160 4421741.8550 3281123.1950 3902118.6720 2925145.6200
PE(16:2e_22:6)-H PE O-16:2/22:6 8993753.8590 9836795.7420 5002469.6010 5695328.0050 4635758.5110 9436894.7730 6692923.0490 6167819.4270 10425177.1300 5906405.9970
PE(17:0_18:1)-H PE 17:0_18:1 30723943.5600 33727273.9300 31903278.6600 30970266.4100 28966106.4300 41513825.2700 35503470.6300 33700134.6800 38001447.7600 31859983.5000
PE(17:0_20:3)-H PE 17:0_20:3 17303774.0500 17811392.7500 12260523.1000 16335735.3700 18933917.7700 27525824.8700 17851195.4900 13783893.1500 16090580.7000 14528672.5300
PE(17:0_20:4)-H PE 17:0_20:4 12120237.0400 11740636.2600 11097013.1300 11568119.9000 12147157.8300 16423358.8600 12833348.8500 11161297.6200 13458972.3600 12310338.7600
PE(17:0_22:2)-H PE 17:0_22:2 6017543.3250 6629604.7690 6247030.9540 6550632.8710 5701342.0070 10267902.8900 8244079.5950 7461740.0710 10787935.1800 7961425.0100
PE(17:0_22:6)-H PE 17:0_22:6 12366445.5700 14338677.5300 13049276.1500 12157872.3200 12431925.6300 31158936.1300 24197927.1200 26899501.0900 27929463.2600 29449212.6200
PE(17:1_16:1)-H PE 16:1_17:1 23279322.0200 26634627.4900 25967032.8700 27432840.5000 24464645.3600 49412689.1100 40775751.2200 38783207.8900 47292979.1400 41114318.6400
PE(17:1_18:1)-H PE 17:1_18:1 74094616.2600 82384500.0600 75196912.4300 79164857.9200 74616721.6000 140127618.9000 124095343.3000 106659479.1000 129628312.8000 113939572.3000
PE(17:1_18:2)-H PE 17:1_18:2 3589551.5620 5149066.9110 3839943.2630 3367740.4480 2619547.5720 5962600.6920 4275364.2600 3613536.4970 4628506.9230 4642725.1230
PE(18:0_16:0)-H PE 16:0_18:0 30634601.4100 31654297.3200 28876792.2300 31950790.2000 28120280.3300 36669636.4000 32039481.0800 31509673.2700 33231758.9600 26915609.5800
PE(18:0_17:0)-H PE 17:0_18:0 5923785.7940 6478061.4370 6508467.4030 6505460.1260 6453146.7690 6837058.7970 5057808.2690 4818974.6710 5749322.1880 5207672.4160
PE(18:0_18:0)-H PE 18:0/18:0 2992751.8280 3145357.8570 3131443.3480 2787164.6870 2812509.8580 3892524.8750 3065528.2630 3074567.0040 3088599.0960 2701833.0460
PE(18:0_18:1)-H PE 18:0_18:1 1584283307 1593066385 1634758185 1531664968 1514253254 2410310942 2009912196 1997932674 2307824575 1960524537
PE(18:0_20:1)-H PE 18:0_20:1 64133288.4500 71102516.1400 66803527.7600 64171028.2900 62237805.5800 84763484.1600 70941786.6700 69051072.8800 78322375.8400 65466592.7500
PE(18:0_20:2)-H PE 18:0_20:2 127875746.5000 129612143.8000 133054526 125204264.9000 126652299.9000 105904609.1000 84101298.6700 80529238.3500 94231141.9200 74536826.1600
PE(18:0_20:3)-H PE 18:0_20:3 256468670.7000 261145445.3000 258309853.9000 247617504.8000 248626418.3000 246082073.4000 187403533.7000 176162521.7000 220222438.2000 187495455.5000
PE(18:0_20:4)-H PE 18:0_20:4 1135586692 1178016504 1173525616 1131947325 1085008134 1236671455 1019752561 1039500203 1149823733 1022333254
PE(18:0_22:4)-H PE 18:0_22:4 7440866.5900 9505281.4430 10176547.4800 17605787.9600 7481727.8080 12078678.4800 9569519.7350 9651933.0340 12535409.9000 9996389.9880
PE(18:0_22:5)-H PE 18:0_22:5 116767992.4000 117776936.3000 117889834.9000 112731982 109739393.3000 160139636.5000 127822452.9000 121356507.8000 145631581.7000 129657500.2000
PE(18:0_22:6)-H PE 18:0_22:6 369999975.4000 380853735.6000 395063760.8000 380183076.7000 361352441.1000 681891969.4000 586640576.5000 571083071.7000 644588074.5000 551443811.3000
PE(18:0e_14:0)-H PE O-18:0_14:0* 15811817.7800 16957965.0100 15312052.2200 16190194.2800 15172130.5000 13771072.8400 9619249.3180 8969622.4020 11388659.0300 8464148.8070
PE(18:0e_16:0)-H PE O-18:0/16:0 39862019.8400 40114380.1800 37092775.1800 38238695.4000 40101460.6700 40145370.5100 31189512.0100 34085161.2600 32738192.6800 30805346
PE(18:0e_16:1)-H PE O-18:0_16:1* 82779916.0100 103545034.4000 95773961.4100 104544191.2000 81435325.5900 83860264.9900 75523627.3800 60864258.8800 75819692.9100 67753559.5800
PE(18:0e_17:1)-H PE O-18:0_17:1* 6875241.0690 6127497.8230 6260346.4260 6263016.4280 6104513.4190 6243642.3880 4806270.0910 6399330.1990 6234082.2110 4840867.3170
PE(18:0e_18:1)-H PE O-18:0/18:1 205960499.5000 207409327.7000 211377992.5000 200056032.6000 194494181 215392125.4000 175825729.8000 173537232.6000 208955122.7000 170930991.8000
PE(18:0e_20:3)-H PE O-18:0_20:3* 3622621.0300 3816134.6170 3936065.1690 1195614.0410 3671126.8140 2327194.2970 2450937.4230 1618703.9710 2036753.3020 1759813.1760
PE(18:0e_20:4)-H PE O-18:0/20:4 19333560.6100 18869631.7600 20291513.8600 19703691.1400 17798379.2000 18700487.2300 14274477.6200 13504652.5500 19168818.5500 13892253.6600
PE(18:0e_22:2)-H PE O-18:0_22:2* 4617187.2270 3949665.6590 3872003.1000 3631130.6060 3879615.6290 2247854.2980 1106022.6020 1187747.6050 1747115.7300 1303147.5640
PE(18:1_18:1)-H PE 18:1/18:1 1825032598 1638407083 2058103933 1774092840 1764243203 2901001457 2018839672 2062082036 2902436761 2547119750
PE(18:1_18:2)-H PE 18:1_18:2 178171999.8000 180939293.4000 182583957.3000 177731979.1000 169774453.4000 298899949.8000 234900613.2000 229045293.2000 269947082.2000 234808143.9000
PE(18:1_20:2)-H PE 18:1_20:2 129961487.8000 140919634.4000 134271173.9000 129960768.7000 124779071.9000 140738041.6000 121367835.2000 120242543.8000 134556486.8000 119460557.3000
PE(18:1_20:3)-H PE 18:1_20:3 11475132.7200 15031014.4900 13735420.0800 15567173.6500 13875965.0100 11853012.1600 11497758.3000 13602271.6700 17189149.0600 12181384.3600
PE(18:1_20:4)-H PE 18:1_20:4 455284456.3000 709075408.5000 458787958.3000 448017117.2000 439838176.4000 628396667.6000 496142640 470922029.6000 568201125.8000 502126991.3000
PE(18:1_21:0)-H PE 18:1_21:0 2421737.2880 2574846.3760 2428927.5840 2176495.7430 2364697.1680 3916557.1590 3116564.0760 3103636.5220 3909268.5920 3216625.7440
PE(18:1_22:0)-H PE 18:1_22:0 19459319.6600 20641547.2200 20346849.2300 18935747.5400 18923333.5900 33350999.2400 25778385.5100 26220877.5200 29873717.1200 24583659.8000
PE(18:1_22:1)-H PE 18:1_22:1 29727725.9800 63528773.8500 63236251.8300 59010455.3700 29669311.3300 77286723.5800 62266415.2400 58871169.2700 70610508.7300 58587252.4000
PE(18:1_22:2)-H PE 18:1_22:2 25490273.5000 26995747.6100 29278879.0900 23529870.1900 25107413.5000 34483891.4200 22136181.0900 22645549.9500 21176418.8300 17523383.1700
PE(18:1_22:6)-H PE 18:1_22:6 261626723.7000 272142379 273456910.5000 262742416.3000 251430524.9000 483684294.1000 394791710.3000 360565537.3000 447378177.3000 401291352.8000
PE(18:1_23:0)-H PE 18:1_23:0 2031034.2710 2040889.7320 1930871.5930 1900870.0170 1758423.4400 3755702.8890 2535949.9100 2200271.0750 2377579.6660 2639808.5770
PE(18:1_23:1)-H PE 18:1_23:1* 2894429.5530 2779837.5940 3006062.0270 2870302.6540 2417020.4870 4033710.0540 3201983.6330 2567459.6830 3826766.8030 3078911.9610
PE(18:1_24:0)-H PE 18:1_24:0 19583871.0500 19885615.5000 20422403.8100 18416635.3000 18085023.3300 26284394.5300 19098366.5200 19166501.4300 24319013.1700 19603906.5700
PE(18:1_24:1)-H PE 18:1_24:1 17108174.8400 17587939.2900 17923377.6000 16373046.8500 15251323.4000 24717779.7300 19921677.8900 17054095.5400 21456868.3300 17962256.6200
PE(18:1e_14:0)-H PE O-18:1/14:0 21521915.7200 20213860.9800 21376632.8700 20365598.3200 19865045.3900 23625201.9200 19250671.7300 19383516.6100 23789183.4900 19035956.1600
PE(18:1e_15:0)-H PE O-18:1/15:0 6154941.9320 6731242.1330 6922765.8150 6185635.8840 5585088.8940 8284101.3610 6814922.0720 6481790.8230 6848925.5360 6134052.1650
PE(18:1e_16:0)-H PE O-18:1/16:0 70872598.8100 66407494.5100 68801232.6100 67174691.1500 61499349.2800 113995028.7000 106159417 103433714.7000 101072652.5000 85673622.3900
PE(18:1e_17:0)-H PE O-18:1/17:0 2848568.5790 3598966.3660 3319357.7440 3126379.2420 2600391.2760 3127461.4790 3284827.6860 1937970.5950 3452837.1910 2967748.3100
PE(18:1e_17:1)-H PE O-18:1/17:1 2939404.9890 1660557.5970 1690317.3410 2015587.7420 3289884.0070 2706917.9190 4247373.5150 2693977.0310 3315322.4230 2267951.5330
PE(18:1e_18:1)-H PE O-18:1/18:1 740483635.3000 734004903.4000 766200473.9000 733325798.1000 719661867.1000 1036790282 832363268.1000 886694455.7000 955230384.5000 798131925.6000
PE(18:1e_18:2)-H PE O-18:1/18:2 8946819.4000 11939298.7200 9999330.0500 15466862.9300 9255962.3750 19827092.2300 13939176.1300 16299396.5800 17978522.9400 12160060.7200
PE(18:1e_19:1)-H PE O-18:1/19:1 3261343.0100 2990624.7050 5600761.6350 2849935.5780 3514561.3390 6125538.9040 4127974.9240 4652954.4130 4761287.0060 3661560.8420
PE(18:1e_20:1)-H PE O-18:1/20:1 90394546.7000 94116820.5600 96179542.6400 91764648.7000 87307891.5000 123381810.2000 98870827.4200 99107764.3500 112350865.5000 91924986.0900
PE(18:1e_20:2)-H PE O-18:1/20:2 25926958.1600 25996142.7800 26362358.5300 24264224.7800 25394880.0700 17509022.4600 11737666.3500 13277832.0200 14508630.5700 11797781.7500
PE(18:1e_20:3)-H PE O-18:1/20:3 15781953.7200 22457670.1200 20000670.3600 3855107.8860 3167945.3180 15213547.9000 25517112.4000 16183450.1500 19450383.6100 25158364.3100
PE(18:1e_20:4)-H PE O-18:1/20:4 12928151.9800 8431380.2740 10705624.5100 9065248.7880 12407587.5400 18872473.7400 13873563.5500 12456531.6300 14399125.2300 11424728.9300
PE(18:1e_22:1)-H PE O-18:1/22:1 14886384.6700 15847746.2800 15803260 15114198.2100 14156978.5400 21849131.7000 16383354.4900 16215588.6000 19647204.6900 15215266.9200
PE(18:1e_22:2)-H PE O-18:1/22:2 2452470.7440 2258949.5880 2892873.3740 1939477.3810 2161428.3520 2188792.6400 1622312.5650 838081.5743 1797321.9900 1238627.7590
PE(18:1e_22:5)-H PE O-18:1/22:5 88712975.0900 94805196.9300 90846939.1100 83435533.4900 81500471.8400 129454313 108520054.4000 105142620.3000 120943363.7000 100182777.5000
PE(18:1e_22:6)-H PE O-18:1/22:6 23910025.1400 22523957.3700 23570993.1500 21263495.2400 21406528.9900 33670612.2900 27144251.2500 27809712.4800 31963687.2900 26634131.4700
PE(18:1e_24:2)-H PE O-18:1_24:2* 5331176.0370 5178373.0050 5590576.3940 5219379.0750 5077716.1560 5858524.4330 4314599.1550 4051134.3340 5102160.5750 3917725.0040
PE(18:2_18:2)-H PE 18:2/18:2 27514065.4700 25102557.5600 27247419.8900 24420857.7500 25283427.3200 41126937.4100 29188469.5700 35919752.4700 39931509.4800 32829390.2500
PE(18:2_22:6)-H PE 18:2_22:6 34867481.1100 29398207.0800 30583762.7200 23584934.6100 31190734.1700 54261698.0700 26747472.6100 33775240.2500 43484091.4700 34613401.2900
PE(18:2e_17:0)-H PE O-18:2/17:0 66718277.4000 61087892.3300 62220426.7500 58838765.5800 58524934.8200 92596052.7800 71140249.5300 66942355.6800 87248980.5000 77960588.2200
PE(18:2e_17:1)-H PE O-18:2/17:1 26203092.7100 24328071.8700 24311768.5700 23954664.2900 25254334.4000 43564147.6900 31855345.8200 33020925.9700 38862670.1100 30542063.6900
PE(18:2e_18:1)-H PE O-18:2/18:1 638031423.3000 628314854.8000 648777408.4000 620868890.4000 594877891.1000 929682318.6000 749435669 718370030.1000 881613092.8000 748501670.6000
PE(18:2e_19:1)-H PE O-18:2/19:1 15595286.2000 14461595.4100 15189182.3500 13635446.7000 13836188.3700 19764208.3400 16376944.6800 13267816.4600 19440131.4500 15590109.2800
PE(18:2e_21:1)-H PE O-18:2_21:1* 6382202.1860 6821942.4470 7223301.1430 6826321.9900 6708228.0800 5877861.7830 4572369.9620 4033509.6590 5376346.3700 4539686.3610
PE(18:2e_22:2)-H PE O-18:2/22:2 24533065.1800 22979255.5900 24843541.4900 20441409.2700 21463336.2500 13939476.3000 13308048.2300 11475744.6000 16071376.3600 10103639.6700
PE(18:2e_22:5)-H PE O-18:2/22:5 97313910.4500 104837557 100120362.9000 93939821.3600 90969253.9500 132006345.4000 115904368.4000 112846648.9000 130866428.4000 119960835.2000
PE(18:2e_22:6)-H PE O-18:2/22:6 508471812.9000 550429471.7000 553516767 518106652.8000 469262710.7000 767316720.4000 587916412.9000 586460041 724681771.4000 632906814.1000
PE(18:3e_22:6)-H PE O-18:3/22:6 6648715.7550 9216897.7450 8774099.7930 9150239.1650 7259825.1700 12741772.7700 11072486.0900 9107210.3330 12251638.2800 10784145.7300
PE(19:0_18:1)-H PE 18:1_19:0 18896878.3400 18882926.0400 20233646.2200 18325254.1400 17524349.8200 23561510.2900 18672591.2200 17883367.8000 21685310.8600 18568388.0800
PE(19:0_20:2)-H PE 19:0_20:2 1272859.2910 1315192.6930 1167547.6270 1254697.3070 1379249.1820 1373335.8950 767040.5140 988294.8265 1170906.4320 931859.5462
PE(19:0_20:3)-H PE 19:0_20:3 13939614.7700 12941905.7300 12344180.1400 11797598.6100 12310845.0200 15948734.1900 13227659.8300 17972093.8700 14733874.8500 11536881.2100
PE(19:0_20:4)-H PE 19:0_20:4 5724574.1360 5369291.6060 4703883.7880 4675146.5710 4562946.4840 6227145.3650 4827519.8290 4194786.6240 6134061.0080 5154880.0090
PE(19:1_18:1)-H PE 18:1_19:1 61705508.1700 61646481.0500 64772518.6500 61700798.9200 58491226.1900 86305356.4700 71397342.2000 67740117.8000 82103310.0600 67384942.8300
PE(19:1_18:2)-H PE 18:2_19:1 17683443.5600 17277261.2700 16871981.8800 16944720.7200 15670932.6500 17355907.4800 14428714.3000 13830255.6500 15745280.9800 13172266.3400
PE(20:0_20:3)-H PE 20:0_20:3 2623265.5520 2835871.8100 3169380.8500 3046374.3920 2677536.6080 2043795.4880 2071409.1240 1838141.2510 2377464.6610 2149491.5110
PE(20:0_20:4)-H PE 20:0_20:4 20432242.6900 22429471.9400 22815709 22103570.2500 21335756.6200 24535251.0100 21722385 21095876.1900 24047521.7200 20288697.3200
PE(20:0_22:6)-H PE 20:0_22:6 5538846.9410 6396265.1460 5868683.9080 5641592.7050 5558575.2570 9274252.1190 9974361.8840 9836161.6400 10309285.2100 9285909.6350
PE(20:0e_16:0)-H PE O-20:0_16:0* 13718801.0600 15037017.6000 15501569.7400 14923862.2900 15060370.3900 15038614.8300 12675944.3700 11510547.7300 13910994.7400 11084918.5800
PE(20:0e_17:1)-H PE O-20:0_17:1* 53943976.7200 45085565.6400 52232802.0400 49421996.2500 51211521.1700 82038504.2500 63350865.2600 67897986.9300 77183525.2600 64315862.0400
PE(20:0e_18:1)-H PE O-20:0_18:1* 26152720.3500 28506392.8300 28443681.9100 27292857.0700 26758180.2700 24538849.0100 20363246.8600 20488424.3100 23133397.3300 17464756.5900
PE(20:0e_20:3)-H PE O-20:0_20:3* 2094804.5280 1321563.3750 1538392.9680 1049532.7460 1776442.3770 1386222.1250 990911.2741 843650.4829 1533576.1250 798574.9606
PE(20:0e_20:4)-H PE O-20:0_20:4* 2838477.2440 7482378.9150 5906898.2010 5520183.0390 6913390.4240 2556849.3600 2597870.1600 3928748.4070 2383500.5660 6332790.3710
PE(20:1_18:1)-H PE 18:1_20:1 233527863.9000 235669082.2000 245029356.1000 229290737.7000 224726935.4000 290183934.1000 239634495.6000 224945874.1000 273822270 229077819.2000
PE(20:1_22:5)-H PE 20:1_22:5 39246945.3200 34406969.4600 26055835.3300 19201095.8700 29117054.1200 14480957.0700 14383052.5700 14418469.4600 16511611.5200 10368673.2800
PE(20:1_22:6)-H PE 20:1_22:6 17407583.7200 17158957.3500 17996360.7300 13387069.9100 13881270.0800 30591027.0600 20443278.5200 23170791.3700 22033651.5200 22701006.4100
PE(20:1e_16:0)-H PE O-20:1/16:0 3556027.9400 3968268.8770 4593042.4820 2782067.9300 4004276.3510 5923663.2920 5418009.3550 5435602.7830 5261723.6480 5080983.8920
PE(20:1e_16:1)-H PE O-20:1/16:1 10740221.3100 9943580.3340 9849788.3840 9439789.1960 9755019.5650 15537243.6000 10180382.3200 9562150.4090 25522207.3000 10660409.9800
PE(20:1e_17:1)-H PE O-20:1/17:1 2853179.8720 1168458.3390 29472095.1900 30695742.9900 47481283.6600 4228191.3440 33441271.4700 55704398.9400 2310907.7160 969864.9174
PE(20:1e_18:1)-H PE O-20:1/18:1 39148418.8100 38664010.8700 38011906.7900 35291464.7400 32812642.5600 40368827.2200 29104926.0500 28621712.3700 39237406.4000 27803624.8800
PE(20:1e_20:3)-H PE O-20:1/20:3 4891350.9310 5248674.2730 5415276.0300 5252164.7050 4601076.5040 4570982.4510 3816137.5700 3395928.1430 4324549.9660 2932545.3370
PE(20:1e_20:4)-H PE O-20:1/20:4 10385643.8200 18695037.9600 18154264.2200 20785323.3700 15861944.8800 22520085.9600 21123569.0900 18691225.8700 14266375.1600 18701410.8100
PE(20:1e_22:5)-H PE O-20:1/22:5 185616306.9000 188109509.6000 201635516 190749429.9000 178265060.6000 261993827.5000 212836566.5000 217453981.7000 248447227.8000 201339192.7000
PE(20:1e_22:6)-H PE O-20:1/22:6 35768188.5100 35845078.0300 37601703.7600 35443996.7300 35134571.9900 58477235.9100 46361067.4100 44265149 52571619.3300 45455295.9700
PE(20:2e_18:1)-H PE O-20:2/18:1 26325581.9200 23272148.3300 22028067.3600 21198475.6900 24696899.9100 28471159.8600 28108516.4600 24791924.5400 31697516 21722987.2400
PE(20:2e_22:6)-H PE O-20:2/22:6 7611766.2310 7885661.5470 8720940.5450 8323050.5420 6568829.2540 11339319.2400 10784484.0900 9100818.5490 11216871.5500 9624831.1420
PE(20:3_20:4)-H PE 20:3_20:4 42906705.6900 45055283.2500 42618394.0300 41081187.9300 39566901.4200 76255773.8000 56515800.5100 50087105.1000 67452449.3700 53302023.3600
PE(20:3_22:6)-H PE 20:3_22:6 2307203.0590 2456640.7200 2181887.2970 2495199.0470 2007430.3270 3048402.1030 3138173.1530 2032117.9090 3310253.9370 2561623.1310
PE(20:4_22:6)-H PE 20:4_22:6 3737485.9610 2397024.9340 4117035.4210 3638211.0420 3243381.3030 2376194.4780 3355553.2610 3332178.8270 3288330.7980 1779522.1020
PE(20:4_23:0)-H PE 20:4_23:0 741415.6019 818675.6836 902800.6489 952242.6322 1094101.6100 1711752.1780 1211922.1320 1308722.5410 1649645.9720 1124414.0720
PE(22:0_20:4)-H PE 20:4_22:0 12170846.0800 12791761.5700 12728095.9000 13109763.2000 12234203.6200 23120485.3600 18389135.8200 19163659.1200 21987036.3200 17969492.6200
PE(22:1_20:4)-H PE 20:4_22:1 9682914.9670 9784101.0970 9895738.8610 8517895.6720 8533929.4110 16168643 13563849.1100 12199416.9200 15901193.6500 13928083.5500
PE(22:6_22:6)-H PE 22:6/22:6 49391037.9700 41486268.2300 43148520.3300 29447154.7300 41232147.6300 50732025.7400 43316411.4900 56795840.5200 48151422.4300 48220316.2200
PE(24:0_20:3)-H PE 20:3_24:0 890847.1373 928666.9332 912919.7982 763027.8533 815787.0656 1248286.8990 957758.6166 924372.0142 1087123.5360 891688.9567
PE(24:0_20:4)-H PE 20:4_24:0 13811364.9800 15500675.1700 15115418.6600 14032777.7100 14176045.3100 29308881.3000 23313397.8700 24330982.0600 27251965.7500 23992154.7900
PE(24:0_20:5)-H PE 20:5_24:0 1100014.2870 1339349.0790 1388481.9360 1192405.2660 1095732.2400 2913232.0950 2536386.2590 2768711.1720 2799732.6240 2437513.8860
PE(24:0_22:6)-H PE 22:6_24:0 1706667.5820 2138668.3880 2142215.6230 1744500.0610 1906365.8760 3844284.8310 3074833.9240 4010763.9700 3477720.5480 3468881.2600
PE(24:1_18:2)-H PE 18:2_24:1 7606401.2270 6847751.0330 7798913.9460 7959711.8150 9385534.0020 13812039.3300 9227617.1980 8054673.2590 12743418.4900 10525107.2100
PE(24:1_20:4)-H PE 20:4_24:1 15631576.7000 15729652.3100 16206919.9300 15341161.8900 14454988.6700 30134160.8300 24615739.8100 23160653.5600 28403661.5700 23599920.1100
PE(24:1_22:6)-H PE 22:6_24:1 1866679.0440 1827345.3800 1613388.4300 1659906.8170 1510898.1860 3552385.3400 3479005.1700 3045415.2670 3468744.4920 2787882.2940
PE(25:0_18:1)-H PE 18:1_25:0 524341.9114 820746.8676 708118.9951 616847.5994 529153.9711 835085.1172 582753.0123 501719.8755 733390.5761 710831.4959
PE(26:0_18:1)-H PE 18:1_26:0 1624338.4020 5117855.6750 4389202.9380 4598621.3550 1755052.8490 1390790.7080 15491664.4400 6435547.9180 9705603.0720 9426273.3460
PE(26:0_20:4)-H PE 20:4_26:0 951858.6962 651150.9960 533178.3836 637409.4074 363328.2669 1416979.6720 986667.1036 999802.3435 1291448.2590 801965.3276
PE(26:1_18:1)-H PE 18:1_26:1 4493983.0840 4306275.5210 4427324.2390 4085735.6490 4020899.2590 6372933.5310 4185258.9630 3959680.8760 5000711.9490 4017128.7500
PE(26:1_20:4)-H PE 20:4_26:1 1242003.4270 1411879.7390 1494697.9250 1400419.9690 1253051.5040 3168991.6570 2345915.0120 2299244.3690 2996127.4750 2123107.9880
PE(28:1e)-H PE O-28:1 977839.0685 772557.9564 892541.2216 838257.5749 656844.3793 2272100.9720 1877883.9600 1651137.3990 2122386.3370 1744795.6960
Pe 32:1 PE 32:1 65969.3645 103746.4468 71125.2845 38853.3823 173030.8270 26639.9661 97068.4097 47540.9120 132166.0916 64537.4988
PE(32:1_18:1)-H PE 18:1_32:1* 3119695.9370 3107642.1340 3029222.8410 2888308.3050 2798730.7830 5733136.3840 3998009.5110 3828735.8060 4823235.6760 3770909.2450
PE(32:1_20:4)-H PE 20:4_32:1* 3246547.2150 3264288.8540 3452372.6930 3177088.1300 3120927.4400 5788954.4470 4272956.0170 4107043.9820 5085736.5790 4027236.8880
PE(33:2e)-H PE O-33:2 34960.2629 2902510.9880 14513.0360 37648.8102 23506.9676 7730748.1930 22209.2107 36528.1274 19721.9333 14096.0212
PE(34:1_20:4)-H PE 20:4_34:1 5056462.1490 3921122.5480 3660966.9040 4036876.4670 4643552.0110 6863361.9450 4661507.5740 5632013.3120 5445233.5660 4295923.9310
PE(34:1_22:5)-H PE 22:5_34:1* 3378517.6250 5923722.8400 4494000.2320 4039526.2190 3793520.1770 6897225.6600 5440604.7830 4577338.7210 6137781.3960 7009342.4240
PE(34:3)-H PE 34:3 521340.0702 615651.8599 361254.3735 312097.3919 499518.9928 1305738.4540 396265.1052 339181.8358 560267.6672 304261.5301
PE(36:0e)-H PE O-36:0 1156806.5810 987560.3626 1608482.8720 954744.9095 803803.2776 1034707.5280 729219.3840 767813.6078 2101900.0540 976339.6569
PE(36:3e)-H PE O-36:3 85166227.2800 84578832.9900 83106779.3200 83741241.5500 80590749.7500 77953107.1200 63176938.7200 58723770.3800 69182264.5300 61064992.5100
PE(36:5e)-H PE O-36:5 772554.0940 460630.3232 1239736.6270 547708.6617 113428.7013 940354.2631 469383.2906 188383.0723 1052204.9750 141564.8487
PE(38:1e)-H PE O-38:1 16959816.6300 16826874.3700 17112737.7200 16463288.3900 15945911.1100 20239158.7700 16203586.8000 15485594.1200 18221879.8700 15195551.2100
PE(38:6e)-H PE O-38:6 6637877.3570 9785094.8360 5682943.7820 10807816.7900 5275515.7320 9984229.2690 10337591.0900 7558754.6940 10518071.3700 2740819.0120
PE(38:6)-H PE 38:6 702981.1670 641545.1954 865705.2757 927660.2704 1220752.4430 1481842.1970 1023879.1920 1072164.9990 1046025.9020 1877236.6930
PE(42:4e)-H PE O-42:4 2888175.2890 2213910.1510 2641005.3150 1987478.6020 2987167.5960 2635625.5620 1994959.6700 2139475.0600 2964047.4850 1950487.4100
PE(52:2)-H PE 52:2 1918490.0050 1783189.7390 1941541.3860 1867054.9440 1644900.0140 3573955.2620 2511029.0810 2377181.5580 2887533.4270 2497296.1800
PE(53:5)-H PE 53:5 485569.0187 736766.6046 1247597.0940 632049.9287 830297.3917 771466.0306 918843.6409 620418.0936 962025.9889 940256.2388
PE(54:2)-H PE 54:2 147757.7452 153786.9966 217262.9094 169350.5729 214058.8720 481751.4908 193610.5728 269152.9035 330802.4622 313733.3275
PE(54:4)-H PE 54:4 538999.5191 346287.3971 392962.9974 295695.6180 482588.6411 876227.7828 431429.7373 578504.4513 697576.3515 499832.7288
PE(54:6)-H PE 54:6 5909576.2330 9887973.9130 6409581.9300 8339262.1210 5877560.5620 11014178.6400 8563803.0490 9909188.5210 9802682.1810 7718351.4940
PE(56:5)-H PE 56:5 715419.0023 885842.2812 650499.1379 450886.0833 525645.1104 1167154.6130 792042.5732 840569.1451 1130210.2510 809631.7699
PE(56:7)-H PE 56:7* 5561455.7980 5305270.9730 5882587.8280 5112847.6890 4801898.7210 6291155.8580 4335894.1540 4441500.9150 5157479.8870 4452379.2740
PE(58:7)-H PE 58:7* 3247067.3850 3295432.6140 3395728.6110 2959783.0380 2496520.4450 2144766.9580 1715642.3730 1561322.6390 1969577.9420 1550370.9870
PE(9:0_10:2)-H PE 9:0_10:2* 10810143.9000 10470075.0900 12885401.2900 11503025.3900 13512561.6900 11909357.7600 9744103.9200 10025072.1000 8444141 9248714.4340
Penicillin G Penicillin G 103734.3114 194775.3700 142539.3932 138035.3196 164249.1063 70720.7367 26548.2746 30428.9731 32280.0391 129953.7068
Pentadecanoic acid Pentadecylic acid 40745.5979 48097.2229 34785.5962 36523.7227 30273.3328 40557.3090 66390.0065 40065.7455 104068.8192 35908.2523
Perseitol Perseitol 3200.0758 5401.6386 1974.9579 3182.1092 5384.5874 2269.9399 2396.5877 3360.0212 2091.0909 2593.4600
Petunidin 3-galactoside 2588.6566 2248.2903 1824.2089 1120.0047 1404.1409 2329.9729 3886.4392 2762.9425 2682.3946 2827.0040
PG(14:0_22:6)-H PG 14:0_22:6 1095672.9360 600921.1629 514096.5014 638504.3979 600474.1072 1605531.6770 757032.5808 563076.8958 1452617.4630 1015955.7530
PG(16:0_14:0)-H PG 14:0_16:0 300003.8788 324707.9816 487656.1956 241312.9535 345807.9073 290238.7871 176253.0361 220270.4552 199972.6390 217926.9486
PG(16:0_16:0)-H PG 16:0/16:0 1000912.1800 1361333.2430 1224899.2740 669477.7211 678883.9025 962872.8052 954117.5826 826137.9609 1371119.9470 391134.3484
PG(16:0_16:1)-H PG 16:0_16:1 7676010.0260 8617510.1330 8739449.6240 8535886.8020 7710760.1800 13638432.0500 11085924.9300 10192311.1000 12378749.4400 10031079.5600
PG(16:0_18:1)-H PG 16:0_18:1 29517186.9200 34344884.3800 45231533.6400 43465230.9500 38091473.0100 41000098.7800 23471341.6300 24787872.7400 35890369.1300 20525329
PG(16:0_20:4)-H PG 16:0_20:4 424442.8682 533216.8665 516531.7165 508642.6331 525152.9479 1598287.0290 1115805.7280 1085846.6270 1155419.3030 973250.3184
PG(16:0_22:6)-H PG 16:0_22:6 8583651.5400 7667797.2900 8421253.5090 12283392.7500 6363511.9250 17945057.1800 19956335.2300 15491548.1500 22710407.4500 12075952.8700
PG(16:1_14:0)-H PG 14:0_16:1 425386.2822 284613.1620 280758.0842 268793.1980 239688.1580 810801.8900 470429.0311 451830.1331 595958.3471 380050.0487
PG(16:1_14:1)-H PG 14:1_16:1 372690.5285 598362.5817 397581.7430 546315.5172 417452.6853 385168.0805 531181.4795 586708.8955 960260.7649 542488.7290
PG(16:1_16:1)-H PG 16:1/16:1 1440692.0140 1705604.1510 1655724.4530 1624567.6650 1176598.4470 2297298.0630 1552167.6090 1506292.5280 2172022.0610 1797799.0470
PG(16:1_18:1)-H PG 16:1_18:1 39960137.4900 41084235.0700 43769204.9000 36811527.5600 38834762.9800 54016757.0700 41305376.5600 42934514.7800 63855341.1700 45047613.6800
PG(16:1_18:2)-H PG 16:1_18:2 2829657.1070 2180993.4000 2487736.4750 2042465.5100 2205144.9770 2846488.1510 2616932.9590 2682171.1090 3710900.7020 2677335.1450
PG(16:1_20:4)-H PG 16:1_20:4 153334.7048 36432.0102 88018.5359 129254.8903 126608.5250 1376052.4800 228052.3781 270651.9113 479108.2653 206376.8085
PG(16:1_22:6)-H PG 16:1_22:6 6652073.2650 6427469.3310 6122730.2350 6329624.3250 5376508.0110 18319146.3800 10311255.1100 9636551.0970 13094723.2600 9493223.9050
PG(17:0_18:1)-H PG 17:0_18:1 4286134.3090 3837424.8010 3841212.9440 4391623.7680 3639349.6230 3870732.1420 2436392.8420 2992937.3300 3794250.5460 2329986.0080
PG(17:1_16:1)-H PG 16:1_17:1 208491.0604 783800.2891 959596.5284 594537.5005 556319.1597 1295459.9290 1300776.8860 886066.6876 1762956.7170 801741.0495
PG(17:1_18:1)-H PG 17:1_18:1 20529421.0500 15299290.7900 17044531.1100 12297521.8600 16259447.0600 20244905.2400 15060643.1000 16981161.2100 18913965.8700 16161275.6500
PG(17:1_22:6)-H PG 17:1_22:6 2776019.5470 3318504.2250 3546406.3880 1915414.8690 2033126.8510 3806833.0030 4120727.7820 5077331.1660 5775596.7490 4126051.8260
PG(18:0_18:1)-H PG 18:0_18:1 32151869.7400 19356780.6400 17626898.4100 19058916.9800 30494433.6100 69230225.6200 23522660.2900 29342547.4900 34022369.1300 26854894.1000
PG(18:1_14:0)-H PG 14:0_18:1 4259851.3870 8450576.1160 9738652.9540 7385158.7630 8133165.0090 10673094.6600 7437497.8170 6861729.7140 12052496.0200 6279371.5860
PG(18:1_18:1)-H PG 18:1/18:1 333467451.1000 351486580.1000 410989546.6000 334542146.2000 363128059.8000 376430169.6000 169615420 352306563.7000 151677432.1000 384566761
PG(18:1_18:2)-H PG 18:1_18:2 26834130.3400 27741318.5800 34898412.4600 28856642.3000 29478881.0900 36914045.6200 29131818.7300 27003507.1300 37352734.6600 31093498.7600
PG(18:1_18:3)-H PG 18:1_18:3 4490426.0730 2381675.4070 1567294.2360 1072373.2660 4232038.0170 7556381.8030 3288649.3900 5218878.9090 6978360.5350 4890472.7760
PG(18:1_20:2)-H PG 18:1_20:2 50710862.7200 50415110.4100 51584592.4100 45830170.2000 45336089.1000 44571575.0400 32723741.9000 31278268.6600 42197144.1300 33649980.1000
PG(18:1_20:3)-H PG 18:1_20:3 5332828.4640 10818959.0900 8663430.5520 11680178.6300 4415366.8140 5362129.4800 9014818.4520 5292988.8900 8220830.8160 6729791.8570
PG(18:1_20:4)-H PG 18:1_20:4 2097984.9680 3779923.1650 2939372.1330 3044243.3260 2110996.6990 1759827.3940 2409682.3130 1825278.8360 5494212.6840 2942093.3840
PG(18:1_20:5)-H PG 18:1_20:5 621315.8622 57792.2638 101010.0196 50239.4757 85.5993 26857831.4900 106038.8672 126445.2726 208458.3211 74534.6761
PG(18:1_22:5)-H PG 18:1_22:5 4349997.5230 2850836.9780 3686542.9360 1773842.0100 3716843.9460 6548611.9900 3234701.6020 2921248.5270 6190412.2780 4304163.5810
PG(18:1_22:6)-H PG 18:1_22:6 93367722.2800 102801601.8000 103233391.1000 93476188.4200 88294338.8100 211646325.2000 152092813.8000 141418110.8000 200797760.7000 152716626.1000
PG(18:2_22:6)-H PG 18:2_22:6 4928821.7450 4905180.7360 5178302.0610 4583878.8960 4188423.5240 12766027.6200 8869722.2790 8204712.0950 11764438.1500 9059312.1420
PG(20:1_18:1)-H PG 18:1_20:1 3866111.8660 3614548.1560 3935565.2140 3236121.6300 3308437.3020 7023945.3290 5218759.8740 4294148.5700 6534120.5470 4928376.2860
PG(20:1_22:6)-H PG 20:1_22:6 22336449.1100 22231215.1300 20205154.9500 13837092.8200 19650891.2900 22216592.4700 28566075.7400 29862175.2500 25337644.1900 30285372.5000
PG(20:2_22:6)-H PG 20:2_22:6 7071701.4400 4274541.7440 6084670.7860 6449014.9530 5737570.6910 9992958.6650 7645933.4180 7190090.7950 9190293.1990 7457087.5420
PG(20:3_22:6)-H PG 20:3_22:6 840017.5580 1019811.3080 643802.4249 911066.8462 1153485.8660 920544.5307 1923387.4410 1544322.0270 1963729.8930 2025037.1830
PG(20:4_22:6)-H PG 20:4_22:6 260990.8539 1177111.4640 305032.4382 1176811.7030 862062.0748 2930050.4300 2544990.7470 1237576.2330 4044605.0610 2809916.0320
PG(22:4_22:6)-H PG 22:4_22:6 81468.4988 307235.9052 171720.1825 164474.9785 162781.0709 955087.3980 758826.9881 563704.3794 1117105.4010 889225.5118
PG(22:5_22:6)-H PG 22:5_22:6 267672.3594 68255.3699 560187.5482 347123.3622 483828.5992 1292131.6500 1036159.5840 1091683.8210 1138148.9090 694945.7969
PG(22:6_22:6)-H PG 22:6/22:6 18310018.0400 18945640.7200 21096346.0900 18940102.3700 16353239.9800 76999241.7500 49181470.4900 52443751.8600 64688638.8000 52920882.8900
PG(33:0)-H PG 33:0 4304812.4500 5046046.7760 4503802.5020 4015786.7480 3659940.6980 5128869.8200 4636274.2130 4243094.5010 4802742.7830 4863605.8960
PG(36:0)-H PG 36:0 1102308657 1073358262 1054607835 1121835050 1082952203 1541434022 1133392171 37363355.6700 1452160457 1173684930
PG(38:2)-H PG 38:2 5494195.5360 5909253.0420 6301336.1070 5781980.7540 5543745.2040 8577481.1110 7087137.8520 6495686.3440 9456817.2010 6988545.6570
PG(43:7)-H PG 43:7* 78437868.3100 71271959.9600 74294304.6600 45553901.5600 63105808.2100 57381013.7000 68393933.8900 84064438.5200 63645664.6900 58804366.7600
Pg 44:11 PG 44:11 1775.0489 2942.9482 2911.9731 1169.2339 4139.4046 2045.8288 3970.2958 2145.4594 6439.3725 2841.6972
Phe-arg Phe-Arg 1637.2365 1666.8352 1810.2771 4626.7045 3606.5988 3353.3866 1617.1040 1664.2683 2400.0761 1674.8250
Phe-Gly-Phe Phe-Gly-Phe 1940.7866 1852.8419 1710.3474 955.2744 849.7835 3849.0424 14173.9901 5138.5857 4354.6658 4617.1472
Phe-met-arg-phe-amide 94309.2238 184617.7769 175990.5460 44116.4387 46058.1038 241250.4821 178720.6151 180368.3890 206822.2362 185696.4423
Phenaceturic acid Phenylacetylglycine 463806.7716 577822.6253 419261.9370 609588.1901 717266.5404 85455.2335 102560.8013 126088.6084 122490.5451 159752.4340
Phenol Phenol 42435.0130 40424.0082 30406.1414 41757.0623 37044.0260 40149.0459 47160.5031 50144.1165 55228.0837 64236.0010
Phenol_ 2-[[[2-(4-bromo-2_5-dimethoxyphenyl)ethyl]amino]methyl]- 2667.3393 1442.4525 946.5146 2521.4917 1633.8117 781.2447 875.1836 597.8206 380.6079 1152.7059
Phenylalanine Phenylalanine 2277002.4320 2708138.1410 2416374.8520 1425252.7170 1402021.6090 3591513.4170 4702192.1340 4588153.1290 4878237.0120 4842957.2820
Phenylbenzimidazolesulfonic acid 3038.4746 2225.3345 1987.7676 3629.2686 1961.4991 2270.4098 2066.2430 1786.5101 1598.4609 1862.9421
Phenyllactic acid Phenyllactic acid 203316.1973 206621.9005 194528.9255 214692.5979 163417.2667 211227.7749 259411.1264 245997.0897 213266.6408 249993.7930
Phloroglucinocarboxaldehyde 42019.0696 38143.2485 29151.4033 42117.1663 39018.5772 23170.7931 37578.3744 33083.3482 15180.8104 39505.1537
Phosphoenolpyruvate Phosphoenolpyruvic acid 961576.9063 550816.3524 393530.3173 463273.2736 465594.4243 25621.5711 26521.3931 368133.8010 386263.6014 310761.8082
Phosphonic acid_ p-[(3r)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]- 4827.8770 4693.5676 1404.7420 5105.0476 5334.2448 1802.9349 2235.6017 2306.9842 2426.4099 2362.6882
Phosphoserine Phosphoserine 2000.9457 1719.5515 1167.8789 2898.4806 2230.5695 1812.7295 1915.8363 2134.6957 2157.8740 453.0999
phSM(d17:0_15:1)+HCOO SM 17:0;O2/15:1 3349163.6040 3352143.4180 3505426.0920 3169045.5460 3391227.2340 5537116.0490 3869386.8150 3901016.6380 5391638.4480 3701695.3610
phSM(d17:1_18:2)+HCOO SM 17:1;O2/18:2 74265146.6100 34608856.5300 33044200.1500 10746826.1700 75405839.5300 117236418.8000 12469039.8400 19890800.9000 35432894.1200 35170270.7500
phSM(d18:0_16:0)+HCOO SM 18:0;O2/16:0 4242567.9430 4102741.8600 4344191.6280 4010170.7850 4056522.2460 5866660.4390 4420178.6090 3648363.3970 5619080.9040 4079744.5580
phSM(d18:0_18:1)+HCOO SM 18:0;O2/18:1 928354.2977 929129.8022 1020821.5340 753391.1474 893254.9506 921431.5395 675506.0798 573096.8253 778111.7462 694162.8204
phSM(d19:1_22:5)+HCOO SM 19:1;O2/22:5 836608.4132 5164893.9790 29.0101 4775210.6430 9043067.1660 15977473.0700 46.1891 866398.6217 7389600 4166244.8310
phSM(d34:1)-CH3 SM 34:1;O2 8574926.5160 8479684.9020 8353179.5290 8467867.0030 7976206.5250 12068121.9500 8748892.8730 9361789.3920 10712913.9700 9498915.5520
phSM(d42:6)-CH3 SM 42:6;O2 6431202.4610 10155695.4200 12830442.1500 8857749.5490 5787058.5170 8600958.4910 29287795.0700 26904600.1500 26677744.1200 11876266.6100
phSM(t18:1_16:0)+HCOO SM 18:1;O3/16:0* 72312736.9500 100236128.7000 101277238.4000 95551893.5400 94601632.0600 133875717.2000 92767043.6800 105602517.4000 127489402.9000 104143801
phSM(t18:1_18:0)+HCOO SM 18:1;O3/18:0* 234569590.4000 232479549.3000 242943624.9000 227789148.7000 224105722 300251879.9000 255003151.9000 254047967.9000 281788946.9000 246997753.3000
phSM(t34:1)+HCOO SM 34:1;O3 194975559.6000 75304775.7500 1869152.0330 55748051.7800 130450995.5000 5405565.3150 2330976.9730 108661985 455646.2632 1881927.5060
phSM(t34:2)-CH3 SM 34:2;O3 5625562.6810 7349905.9580 6233279.8080 5781132.1040 5134037.0460 6633525.6000 6613244.9330 5721498.9240 6808552.2930 6054507.3920
phSM(t36:1)-CH3 SM 36:1;O3 2258019726 2326878723 2340055463 2317023625 2260077641 2922588527 2463734959 2385941207 2887727495 2440300999
phSM(t37:1)+HCOO SM 37:1;O3 2475669.0780 2711840.2630 2676940.4350 2758948.6110 2411409.7440 5011004.1260 3967984.9110 3503421.8860 4768214.8740 3837925.8690
phSM(t38:1)+HCOO SM 38:1;O3 80348943.2500 81763833.6400 79038554.4400 78162242.2200 77244733.0900 85633341.6500 68927537.1100 66465715.2300 78171462.2900 63390995.1100
Physcion 2954.6936 1998.5335 3954.2633 937.8358 3380.4524 2764.0403 2564.6825 3824.7710 2326.2053 2370.1689
PI(12:0e_23:0)-H PI O-12:0_23:0* 117558844.3000 125782813.6000 124866240.9000 121664162.5000 113539927.5000 116216056.6000 91797696.5400 91616625.3400 106507007.4000 88214488.8900
PI(14:0_20:4)-H PI 14:0_20:4 892561.3678 776696.7267 795465.9147 531813.8753 566788.6484 1144866.7450 1043152.2680 1114683.8390 1151769.5360 1100321.4440
PI(15:0_20:4)-H PI 15:0_20:4 827188.0964 733392.6917 844771.3978 673566.5450 731010.4256 1329042.3930 1189852.9380 1444584.4560 1337063.2720 1141898.3820
PI(16:0_14:1)-H PI 14:1_16:0 512917.4210 472419.2615 511967.2379 323963.6903 330861.1493 574772.0552 563985.1434 640568.5096 786340.5201 696815.0782
PI(16:0_16:0)-H PI 16:0/16:0 839249.3630 1708286.7170 1561007.3660 825946.0253 857649.6706 1605789.5320 1033958.5750 1865722.9440 1474473.6280 1691175.7850
PI(16:0_16:1)-H PI 16:0_16:1 34401302.1600 31498143.8500 32169665.6200 21954655.5300 25551289.3600 35479132.6900 42033746.3100 45091578.9000 37431236.3700 41684552.1600
PI(16:0_18:1)-H PI 16:0_18:1 278672397.4000 235058386.9000 249213713 173120491.4000 224838381.4000 216259741.3000 308361860.9000 378015260.3000 258561089.4000 317859328.7000
PI(16:0_18:2)-H PI 16:0_18:2 12121114.9900 8846870.9210 9859551.7310 8153214.7040 9896513.1430 8148752.9070 9602491.1410 11175869.2600 9348237.0070 11959385.4400
PI(16:0_18:3)-H PI 16:0_18:3 6088809.2510 5590694.9520 9265551.7100 4144639.5980 5069129.0520 8318400.8680 8904287.0160 8879974.6130 7762360.1460 9082202.3490
PI(16:0_20:3)-H PI 16:0_20:3 131066187.4000 112717456.3000 117666697.6000 80253947.3400 107144396.8000 99793699.7500 121939201 137848414.3000 110621396.6000 123739244.3000
PI(16:0_20:4)-H PI 16:0_20:4 228442687.8000 220139764.7000 228116152 161366668.6000 198610407.7000 290614821.1000 336630650.1000 378937774.2000 318346108 319962301.6000
PI(16:0_20:5)-H PI 16:0_20:5 3865081.5940 3438574.7970 3708601.0430 2498667.2360 3076908.5470 6735801.2340 6581325.2090 6931636.3250 6822049.5070 6593728.8260
PI(16:0_22:6)-H PI 16:0_22:6 29579692.5900 26334107.5900 27612674.9200 19486212.1100 23068428.4900 41687585.6200 42161047.5100 47367624.2900 44160493.1900 42649844.9800
PI(16:0e_20:4)-H PI O-16:0/20:4 1992041.7180 3525203.9240 5149435.9470 1297410.7730 1493505.1550 3329792.6390 2445091.4190 3312103.0580 2837691.9340 5082306.7630
PI(16:1_16:1)-H PI 16:1/16:1 3633350.9550 3426570.5470 3875945.3700 1993218.3590 3137874.3060 5946127.0700 5581057.4930 5699700.8480 5757431.3550 5782642.5760
PI(16:1_17:0)-H PI 16:1_17:0 10160084.7900 9002241.5360 9357524.2840 6659133.6580 8336287.2300 9987979.1370 10493511.9900 12383412.2000 10085127.9900 10325492.5500
PI(16:1_18:1)-H PI 16:1_18:1 159375164.8000 149031596.3000 157363888.9000 111208592.8000 135020737.7000 165752883.4000 183803159.7000 194906931 175452518.2000 184755736.6000
PI(16:1_18:2)-H PI 16:1_18:2 3417707.2250 5683492.5160 4012969.1700 5468357.1810 2697677.0280 4079632.5870 1553239.6740 3924632.4760 683285.4775 4174327.7610
PI(16:1_22:6)-H PI 16:1_22:6 487236.2623 115913.2094 401152.9675 259468.9826 368117.5257 797312.1925 518626.0047 914407.8906 744547.8090 619858.4810
PI(16:1e_16:1)-H PI O-16:1/16:1 4170741.9690 4451484.0170 4462910.5300 3750423.5860 4354074.8720 5291309.3080 5693066.0850 6243415.3140 5429780.2470 6036668.3950
PI(17:0_18:1)-H PI 17:0_18:1 463651.1780 5114423.2890 7024195.6840 2513380.2660 1421355.6920 554077.7836 4617342.2910 334201.5982 2398006.6330 5608538.9950
PI(17:0_18:3)-H PI 17:0_18:3 9590872.2310 10561611.2800 10446152.0400 11728157.8500 7876813.0560 8996202.1160 12879563.1200 12278968.4500 11380124.7800 12533625.6500
Pi(17:0/18-hepe) 1061.4798 769.1117 632.5842 753.8891 526.5063 1048.7559 2961.4891 1007.2516 584.2769 643.3282
PI(17:0_20:3)-H PI 17:0_20:3 41205845.8100 36247105.7600 36152613.7900 24676642.9200 33082653.6700 38528968.5800 45491639.4800 48237043.7900 40913895.5900 46868102.1400
PI(17:0_20:4)-H PI 17:0_20:4 29298520.6700 24610670.5400 24104363.8400 19974182.2900 24336783.6300 25512343.2900 32290199.1600 34681967.0200 29792468.0900 29987127.2300
PI(17:0_22:6)-H PI 17:0_22:6 2477666.2360 2198582.0240 2437396.3690 1906083.2760 1932164.4350 2801829.4140 3353411.2860 4163322.8770 3096866.7490 3383804.1760
PI(17:1_18:1)-H PI 17:1_18:1 27973092.1500 26446003.4800 25829138.7000 16415854.9700 20642201.1400 29228068.6700 32508206.6100 36999105.5300 31970276.6500 33636566.6100
PI(17:1_18:2)-H PI 17:1_18:2 5367358.8160 4599138.8450 3638722.6550 3864590.9940 4180244.5770 6927810.2200 5698612.0310 2546384.1190 6281196.4200 5255802.7280
PI(17:1_20:2)-H PI 17:1_20:2 53253134.2700 48159579.7700 46408477.3500 35265280.0700 40400545.8300 33404013.3600 47336020.6400 51285464.9100 38540258.8700 43467364.9800
PI(17:1_20:4)-H PI 17:1_20:4 6875151.9190 6601920.8040 6091831.1250 4657670.0780 5270496.9400 10496385.6400 10131016.1800 10902770.9000 10501783.3000 10465082.7800
PI(17:1_22:6)-H PI 17:1_22:6 1290432.8540 232983.5888 324055.4032 215806.6051 487009.6752 1243268.2850 494942.8984 700517.9321 1213566.9280 541280.7535
Pi(18:0/14_15-eet) 1506.7123 3326.1254 2371.8132 1172.0248 4860.7562 2686.1231 6109.2423 2802.4124 7243.2797 3613.1090
PI(18:0_16:0)-H PI 16:0_18:0 29606488.3800 32790594.1100 30277950.3200 19932130.4500 22453885.0200 14048646.0900 26580853.4000 29733324.0800 22446532.3700 24277427.1500
PI(18:0_18:1)-H PI 18:0_18:1 92771920.4200 78221518.2100 80173892.8500 54448423.9100 68164101.8800 75631416.2700 103878634.3000 115688166.6000 81455576.6800 97510900.8100
PI(18:0_18:2)-H PI 18:0_18:2 76125515.7000 66563337.4700 64282883.5600 41656391.1500 65903329.3400 46583475.7800 58049042.2400 73295353.4400 54882356.0200 60263344.5100
PI(18:0_20:1)-H PI 18:0_20:1 7973310.2910 6394238.2120 6055363.8390 4182387.1590 5888793.4260 5075232.6370 7914529.5940 8280350.5360 5311176.6720 5710888.6870
PI(18:0_20:2)-H PI 18:0_20:2 45364896.9600 38123873.3100 35790114.3700 28845418.1400 33220391.7700 27212832.3900 31017901.8800 36565009.4500 32341744.4200 33447944.7300
PI(18:0_20:3)-H PI 18:0_20:3 180144268.8000 146832559.1000 151096945.6000 105073974.9000 146367844 135586325.5000 163003369.3000 202776946.6000 146507230.6000 156780589.1000
PI(18:0_20:4)-H PI 18:0_20:4 792748950.4000 694459292.6000 712973128 502493857 635843736.9000 811035646.9000 987819526.9000 1109805395 917593706.1000 935560697.7000
PI(18:0_22:1)-H PI 18:0_22:1 1688538.8650 1247879.0790 1117378.7950 1222014.8920 1468017.6380 1266393.2250 1395555.4980 2776492.6210 1355345.8160 1243112.3630
PI(18:0_22:2)-H PI 18:0_22:2 25809346.2400 19825097.4800 20423382.2500 14115641.4700 17410901.5700 14080227.1400 17963780.5400 20106107.2300 14220608.6800 16669481.1800
PI(18:0_22:4)-H PI 18:0_22:4 2054275.2180 8279287.7750 2072831.0590 2711046.9790 1693906.8860 1775732.6530 6981722 1593127.7860 845789.5307 1221686.2620
PI(18:0_22:5)-H PI 18:0_22:5 17434392.5600 14008122.6200 15241895 11711910.1800 12046058.5800 16835067.4100 21379401.3400 22105712.3900 17146197.0400 19792555.5300
PI(18:0_22:6)-H PI 18:0_22:6 75829075.8000 69457609.4400 69026342.8000 48724113.8800 62282435.2900 79636234.7600 102404662.5000 118054980.1000 86188911.1700 99283921.8400
PI(18:0_24:2)-H PI 18:0_24:2 2586291.0510 1910590.4440 1862992.5250 1198413.5400 1541236.9860 1082620.0750 1516122.2880 1718406.4140 1177309.7380 1367751.5680
PI(18:1_18:1)-H PI 18:1/18:1 296883297.2000 256897296 268715030.7000 175457505 238270527.7000 237493695.8000 310518749.5000 351569648.5000 244034989.6000 273274391.8000
PI(18:1_18:2)-H PI 18:1_18:2 46715229.0100 45091613.6600 46771058.5900 32383719.9700 40914497.7100 51744606.5700 59137010.8400 64414351.9500 52115747.9800 57122060.0500
PI(18:1_20:2)-H PI 18:1_20:2 105943874 98303573.8500 96295512.1300 69606390.6900 87284592.2400 113158742.4000 131355810.1000 153540821.6000 128896278.9000 127671309.6000
PI(18:1_20:4)-H PI 18:1_20:4 654621881.3000 617416058 637669369.4000 449439675.3000 554628276.2000 732058165.8000 809447843.2000 907360807 781496740.8000 798358325
PI(18:1_22:2)-H PI 18:1_22:2 17288423.3600 10224512.4700 12645300.9700 11481832.2500 11909760.7100 7421991.8220 8841705.1050 14291425.7800 8611794.2950 13545324.9100
PI(18:1_22:4)-H PI 18:1_22:4 28481384.3900 24648184.1400 26668846.2500 19491881.5600 23216347.3100 28647779.1900 35204115.0300 39609590.5800 31406865.7600 32870027.1700
PI(18:1_22:5)-H PI 18:1_22:5 11261255.0300 10118211.7000 11517168.9600 7416769.3980 8929003.8480 12394032.4600 15928195.1300 16390115.9200 14193096.3700 15705021.9700
PI(18:1_22:6)-H PI 18:1_22:6 26265481.0400 25228837.8400 25436497.0700 18448621.9500 21972731.7200 33529783.1200 39179818.6400 43446151.1600 35951536.4800 38665466.0500
PI(18:1e_16:0)-H PI O-18:1/16:0 3063386.9040 2637682.8900 2278151.2950 2409268.1750 2207330.9390 1603694.2750 2973455.9540 2618190.8610 1328357.7640 2829995.0140
PI(18:1e_20:4)-H PI O-18:1/20:4 10532280.4800 9842739.3590 8540448.7070 6648243.2080 7464089.9240 12203143.1600 13665357.6200 16445985.3200 13729432.7000 14475688.3200
PI(18:1e_22:6)-H PI O-18:1/22:6 3261506.2310 2918366.0510 2948341.1450 3024901.8930 3578088.3990 4850878.8380 4801465.8600 3782929.3240 4427885.1630 3821322.8320
PI(18:2_22:6)-H PI 18:2_22:6 275775.2027 327764.8161 374324.0744 339208.8944 147564.6367 609390.6912 713288.3077 583937.1683 401770.4252 471569.7526
PI(19:0_20:2)-H PI 19:0_20:2 11317813.5200 9108910.9850 9748903.0350 6099220.2030 8912353.2830 6656924.7190 8954492.0530 9820089.8940 7986262.7230 8402841.7670
PI(19:0_20:3)-H PI 19:0_20:3 4951681.5270 4280192.5540 4063816.4170 2394742.3840 3833649.4190 4396960.2250 4594939.2700 5197490.4060 5177853.7500 4726987.7250
PI(19:0_20:4)-H PI 19:0_20:4 8485863.8320 6856568.9150 7612516.0120 5165855.1670 6243480.1510 5101389.3480 6860178.9280 5230016.0720 7005538.3820 4631519.0790
PI(19:1_18:0)-H PI 18:0_19:1 3346191.6750 2287646.3740 2675030.8060 1333911.4310 2500245.5700 1764562.4110 2427749.5530 3612935.6220 938482.5342 3095856.6450
PI(19:1_18:1)-H PI 18:1_19:1 78492568.9100 64029241.0800 68309020.5300 46795267.1200 63235290.1900 55806411.3600 69222871.0500 82119752.5400 61647087.2800 68120470.4100
PI(19:1_20:2)-H PI 19:1_20:2* 11726846.6000 13612590.0600 13417468.5600 10673231.9400 11860398.2900 9148906.6330 14705035.7700 9653747.3740 8919846.1260 11528790.0600
PI(19:1_20:4)-H PI 19:1_20:4 25510578.0800 19764286.0500 21976450.5900 15680419.1900 20760191.6200 25904666.3100 28975406.9400 34452197.2900 29196186.1000 27693257.4900
PI(20:0_20:3)-H PI 20:0_20:3 3106967.2050 2091472.4540 2752198.5630 1749726.2440 2032589.3200 1822252.8580 2907198.8840 3355521.2360 3074800.1820 2819638.9290
PI(20:0_20:4)-H PI 20:0_20:4 2718099.3870 2415521.7230 3135212.9600 1559299.2030 2361069.2380 3343192.9530 3838250.5860 4304383.5890 3581380.5490 3786890.3030
PI(20:1_22:2)-H PI 20:1_22:2 2037868.0950 1751605.9280 1570606.8900 1195378.4590 1080851.7920 807727.8997 1530475.9930 990773.7889 763771.2116 1314511.6990
PI(20:1_22:4)-H PI 20:1_22:4 1757630.0640 1665286.6120 1894465.4640 1334810.5140 1640347.2990 2470033.2100 3411659.6880 4329245.7280 2927233.4830 3249591.5910
PI(20:2_20:2)-H PI 20:2/20:2 1643786.0400 523532.8209 376333.7434 338980.2501 383578.3418 1216651.1100 880219.9895 842141.1680 633984.3186 512295.2803
PI(27:1)-H PI 27:1 603477.6751 696298.3737 571517.7046 509780.2730 562094.4946 644673.5004 456622.2482 517102.1082 444598.1662 444108.5516
PI(31:3)-H PI 31:3 451484.8135 699539.5644 473034.9281 373468.0899 188829.8255 583668.4434 219013.1966 227396.5119 161749.4930 164675.8482
PI(33:0_11:3)-H PI 11:3_33:0* 1363371.1590 932028.5883 669812.1584 411096.4008 907690.5219 622087.7778 1712108.3630 1620060.6360 634215.5712 1731114.0650
Pi 34:2 PI 34:2 142505.0781 302672.5398 166621.0116 101009.6899 254972.5001 181950.0398 334865.2044 167656.4722 429402.3506 193739.2517
PI(34:4e)-H PI O-34:4 799637.4813 1572876.0780 3267370.5150 1115085.3880 5283072.3940 1965735.9550 1217080.8340 2864866.2840 2646205.6320 1592383.7840
PI(35:1e)-H PI O-35:1 927420.5396 642558.2668 783087.6402 838193.6447 1844033.9020 1638613.4540 1833528.5120 1385024.4210 2391982.6480 494372.6189
Pi 35:2 PI 35:2 21263.2151 46471.5714 27147.5121 14823.5732 40011.9009 30289.6310 53535.3726 28417.0744 61699.3936 30902.0510
Pi 36:2 PI 36:2 385110.3837 898383.9576 518710.2896 296496.8647 785499.9682 673246.1995 1175175.3200 622540.5939 1309784.9320 663085.9600
Pi 36:4 PI 36:4 195852.5150 451052.3599 276096.9909 157678.7121 377131.6369 206601.3996 339474.1403 192407.2550 505073.8486 235147.3837
Pi 36:5 PI 36:5 12840.7886 27542.6389 16908.6183 11286.0133 27260.0027 11865.8278 20425.2176 12997.6006 31482.2913 13650.5391
PI(37:1)-H PI 37:1 78124009.8000 84009768.5100 82762109.5400 82852812.7800 78284715.1000 131038006.9000 113596436 97809760.0800 120623883.2000 104073407.3000
Pi 37:4 PI 37:4 32840.5739 73025.6902 40256.9072 26389.7093 67598.1671 44295.3963 75413.9323 36488.8640 91091.4701 45929.7250
Pi 38:4 PI 38:4 87380.2555 214024.1437 113737.6549 69822.1127 58275.8854 144060.1784 245733.9060 123437.6585 287609.7207 157675.1323
Pi 38:5 PI 38:5 541328.0168 1300718.3000 710326.2947 434920.0907 1317727.9160 662903.9568 1234546.8870 595121.4951 1880388.1620 804668.1432
Pi 38:6 PI 38:6 33002.6086 66138.6591 39630.2316 24157.0444 63210.8869 29165.5901 57711.8320 29821.2828 89538.3802 36813.3669
PI(38:8e)-H PI O-38:8 3479306.7750 3705009.2450 4028415.8770 3983555.6150 3894943.6270 4117543.2950 3715226.7160 3913912.4470 4079334.9580 3385812.2280
Pi 40:6 PI 40:6 36735.2160 92185.7642 54768.9290 30019.1532 98893.4510 48354.5516 99384.4413 45580.9468 120875.8108 60131.5618
PI(42:1)-H PI 42:1 349658.8008 279600.2460 297875.5508 176462.8615 182845.9584 375705.0545 223161.9648 243352.5037 220778.2062 188135.4975
PI(42:6)-H PI 42:6 1616026.5780 1218873.4340 1224325.8120 365213.3753 965193.5230 1322830.4320 2033230.1700 2900125.4200 1318625.9180 2844723.2940
PI(42:7)-H PI 42:7 1394913.5450 1242385.8120 1122767.2460 768187.1848 1166924.0430 932148.9449 1195538.0440 1430580.3970 1130040.0480 1161772.2870
PI(48:1)-H PI 48:1 611318.5235 584551.4276 540643.8788 431932.6345 510205.9646 562110.9604 234210.2755 384734.0363 306776.5995 180520.9113
PIP(10:1e_21:0)-H 285210.8649 918886.2502 1071271.7600 875760.1489 953930.7481 2729586.0590 945011.8199 1869342.0440 2823245.8170 1953517.7560
PIP(18:0e_18:1)-H 1143301.6080 807060.6011 908092.2418 569068.4229 1136079.2550 607357.4145 1883550.0140 2154708.5940 736038.0692 1612773.4220
PIP(18:1e_16:1)-H 58779.1869 48297.9661 65941.6954 101204.5651 188662.4677 547085.9196 550409.3888 468485.4497 271443.1281 413817.2621
PIP(18:1e_18:1)-H 453631.1655 644084.2164 647009.6185 364223.3470 537146.8229 1080313.2020 1113020.1700 616218.3515 1651954.3180 1068822.0880
PIP(18:1e_18:2)-H 127768.4015 55077.5092 101879.8773 439220.4665 462589.4115 186494.5510 384760.9682 496728.6945 701485.9240 703216.7959
PIP(50:3)-H PIP 50:3* 1352217.9060 1590144.9490 1955327.8440 1626371.4400 1695128.5770 2658662.4780 2452650.8530 2656443.4650 2662991.3940 3024159.3390
PIP(52:3)-H PIP 52:3* 2952674.4260 3045419.7780 3330313.4290 2635715.4880 2573595.5670 4688135.9570 5030908.7540 5364191.7050 4387265.8900 4705789.4320
PIP(52:4)-H PIP 52:4* 1528409.6530 1702983.8660 1401267.3550 1370271.5720 1558065.7900 2320096.9500 2432860.5810 2720412.5520 2262600.2330 2644933.3760
Pizotifene 3922.2645 4879.8786 2510.6550 2976.9095 4360.4802 4503.8529 4138.9336 3880.4179 4281.4294 4546.7903
Poncirin Poncirin 776.4289 906.1825 718.2084 852.6939 836.2791 982.3356 1453.4609 1087.8292 889.2347 775.5067
Poricoic acid a 7787.0671 7366.0918 6336.0603 7882.8276 5297.3190 979.1901 5376.0132 4053.6471 5239.5992 1523.0677
Probucol 37296.4659 6231.1422 22221.3329 17473.0100 17636.6267 18570.0026 62449.9193 44838.5203 24651.0033 31407.3650
Pro-gly Pro-Gly 14086.6013 14594.0631 12970.7410 11106.5265 12151.7881 15465.2802 19845.6307 18053.6839 21030.8888 21462.1036
Progoitrin 5289.0736 6247.5788 6419.3527 9135.6070 10877.5895 7707.1705 8326.4541 9512.1029 10463.8033 9593.9422
Proline Proline 94830.4979 152931.1206 335350.9191 58188.4454 49566.9298 1761816.7570 1169080.8170 246642.9675 276398.2994 312614.5760
Propanoic acid_ 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]- 63367.0382 65477.5611 116301.3345 89484.7627 57489.1969 79546.0079 95718.9596 93208.4266 138680.3912 58395.0037
Propionic acid Propionic acid 43215.1396 33779.0551 46843.4129 37936.7584 27543.6097 50315.3117 44361.7054 44746.3328 42719.3106 38300.8088
Propionyl coenzyme a Propionyl-CoA 655.3834 743.4672 1315.1284 692.8387 860.4581 1099.5656 3006.9927 841.3256 1720.4690 3126.0920
PS(14:1e_20:3)-H PS O-14:1/20:3 2726632.6090 1632989.9690 2343351.6430 2103011.4660 3078571.1640 2781712.7460 3284626.3400 5071183.0720 3687038.5810 4365580.8930
PS(14:1e_24:2)-H PS O-14:1_24:2* 2054866.1890 1006277.0430 1185032.5140 1917726.0590 744854.3226 2389079.9460 995555.2059 1387652.0050 1709414.2160 971591.9341
PS(16:0_14:0)-H PS 14:0_16:0 2624467.8560 2420030.1950 2831889.3290 1464697.5420 2263661.5390 2211697.4550 3229901.5300 2880360.9920 2858585.8610 2946913.8800
PS(16:0_16:0)-H PS 16:0/16:0 3279924.0750 3701666.9310 4030850.5750 3327864.3270 3354533.9970 2675629.5860 5980391.6270 4695288.8810 4028480.2900 3704403.5360
PS(16:0_16:1)-H PS 16:0_16:1 88183823.7000 80814097.8500 86880094.1300 61149567.2700 75012933.0700 75544553.1900 88384778.2400 98381857.8200 85441418.5600 90313513.0600
PS(16:0_18:1)-H PS 16:0_18:1 249573574.2000 231875693.2000 243633561 174644390.5000 217466039.1000 209742707.3000 273363313.6000 328677829.6000 243016379.9000 285490500.3000
PS(16:0_20:4)-H PS 16:0_20:4 15904424.0500 16557737.5900 16503100.5300 12829201.7800 12631802.6100 14596820.2600 17658740.0500 17201903.8500 16207694.7100 17486502.1800
PS(16:0_20:5)-H PS 16:0_20:5 822876.1134 1109182.1630 879324.9611 584797.6722 440908.6198 1310052.3160 861022.3727 1300819.0690 1356809.6130 1081234.8630
PS(16:0_22:6)-H PS 16:0_22:6 27132725.6800 23023565.1800 23709339.2200 17369734.8200 20164112.3900 28974884.7500 32872138.1400 36360357.5900 32280295.9800 32038115.3100
PS(16:0e_22:6)-H PS O-16:0_22:6* 7472358.6900 1967408.4020 5132401.9710 3180884.2340 2454814.8950 1466243.4480 1572108.9160 4376134.4030 2495685.2800 1201025.3560
PS(16:1_18:1)-H PS 16:1_18:1 62676016.8300 57005099.2600 60761039.3300 44397200.6900 53799169.0500 49398978.5400 59186093.7900 68186048.2100 56660526.1600 61523200.6500
PS(16:1_18:2)-H PS 16:1_18:2 4187096.9970 3832711.3560 4455611.6930 3698425.5990 4983488.6820 7207098.0890 8431951.9260 7326808.8580 6415454.4910 8351636.0130
PS(16:1e_10:0)-H PS O-16:1/10:0 2449659.5200 391854.7529 421774.5283 821146.3286 429593.9543 949829.2537 1645319.8730 533514.9280 1116628.9670 619406.5295
PS(16:1e_20:3)-H PS O-16:1/20:3 37539472.0800 37604518.0300 39284624.4700 39095453.0700 39301073.9900 48717108.6600 55389288.7400 55774715.2100 50530067.8000 56677833.0400
PS(16:1e_22:4)-H PS O-16:1/22:4 10607089.1200 10338686.2800 11754342.2000 10605012.8200 11155173.3900 12837458.4800 17753340.7600 16355342.7700 15650888.1200 17524997.4800
PS(16:1e_22:6)-H PS O-16:1/22:6 5542749.3430 5367618.1620 5584475.8390 4026788.9500 4541158.6840 6300283.0410 7594038.0780 8487764.0650 7272491.8850 7537821.1110
PS(16:1e_24:2)-H PS O-16:1_24:2* 8402395.8330 8718942.7820 8110906.1930 8053768.0520 7834809.8700 8914963.1230 6401387.7020 6625127.8710 8269200.9480 6642050.6810
PS(16:2e_22:5)-H PS O-16:2/22:5 13884164.4300 14111844.9500 14619306.3800 15707143.9400 15464758.8100 16438912.5600 19403988.8000 21136986.1600 16331926.2200 20701351.5900
PS(17:0_18:1)-H PS 17:0_18:1 19295310.4900 15068642.4100 17956656.2300 15408797.6800 17783853.8900 24544783.2000 19881836.8500 20871672.7200 23135291.5800 19440632.8100
PS(17:0_20:3)-H PS 17:0_20:3 2421131.1260 2516734.7350 2609215.9730 2565738.3610 2666596.3160 4407062.4150 4282631.0240 5098162.4030 4764330.0270 4535977.1640
PS(17:0_20:4)-H PS 17:0_20:4 1069130.6350 996236.3173 1147429.2980 764062.4166 962065.8047 885990.4737 1487969.9240 1226365.1420 901610.7757 1236348.6580
PS(17:0_22:5)-H PS 17:0_22:5 1959581.3100 1621104.6550 1691841.2170 968256.4138 1604565.8990 1192673.9960 1634646.5310 2233524.5900 1621805.8790 1884755.5200
PS(17:0_22:6)-H PS 17:0_22:6 7026800.5090 6053554.0170 5822103.8840 4142310.0100 5122226.6740 5834785.9690 7282428.9500 8642227.4920 7075268 7041051.7790
PS(17:1_16:0)-H PS 16:0_17:1 15827252.3800 14280778.0400 13406502.3500 12250338.0700 12730570.5300 15315860.2200 19901667.6600 19624945.0700 17650538.9400 16699172.3800
PS(17:1_20:3)-H PS 17:1_20:3 303420.6481 347707.8963 240900.7542 455996.1934 374388.1552 849393.0971 883024.3227 717180.7083 713558.8844 933996.8788
PS(18:0_18:1)-H PS 18:0_18:1 286973038.7000 259868133.8000 279011565.4000 198982350.6000 245124168.3000 249555411.4000 351352191.5000 415606390.9000 307656585.2000 342837261.8000
PS(18:0_18:2)-H PS 18:0_18:2 1156021.1370 1146418.6330 990533.1227 875689.2685 1004962.6070 1073267.0720 1159592.7890 1405886.7770 964262.8062 1310098.9880
PS(18:0_18:3)-H PS 18:0_18:3 2806199.0250 2313843.9230 2250710.3240 1031569.8270 2682946.8630 1280284.5640 1530920.6020 2271180.4720 1413539.8530 1799727.0900
PS(18:0_20:3)-H PS 18:0_20:3 32886674.0500 35965315.6200 38334988.6700 27346644.9200 30250684.7200 17230674.2700 31025359.2400 33698676.9500 25365557.6000 28555799.7000
PS(18:0_20:4)-H PS 18:0_20:4 27915914.4300 23896007.6500 25560727.0900 18176924.6800 21823951.2500 17757628.0900 23147113.7100 27085558.1600 20426720.1000 24736431.8400
PS(18:0_22:4)-H PS 18:0_22:4 2943266.3450 3317316.3190 2973877.1680 2950304.8470 3205568.8320 2872107.0260 2434432.2530 3611511.7000 3708355.3930 2985141.5580
PS(18:0_22:5)-H PS 18:0_22:5 66408815.7500 40376586.8900 49805080.3600 27258785.1800 38841824.5700 25997641.9600 37539597.6700 47156011.5300 24462282.0800 35496001.1200
PS(18:0_22:6)-H PS 18:0_22:6 480583976.6000 455733323.7000 497448925.6000 315433533.6000 398860583.9000 334301819.3000 493239416.9000 636024414.4000 424366043.4000 479925007.2000
PS(18:0e_22:5)-H PS O-18:0_22:5* 2185703.7310 2970051.2350 2302097.0820 2811661.3410 2256914.0310 3731807.8610 2892484.9370 2113156.6490 2611888.9610 2799968.6640
PS(18:0e_22:6)-H PS O-18:0_22:6* 3648812.3720 3305034.3260 3358528.8290 3365782.8850 3151418.6710 5537965.2540 3905018.2840 4090281.3400 5470839.2680 3133920.0170
PS(18:1_18:1)-H PS 18:1/18:1 72177793.9500 137875881.8000 140439775 105863679.8000 127251161.6000 106949847 146345545.7000 182719897.8000 133927332.1000 156005380.8000
PS(18:1_18:2)-H PS 18:1_18:2 238319.7681 698336.3826 389018.6795 247940.1809 195868.0378 26266.1938 39022.6084 350286.8462 29546.8339 150551.1151
PS(18:1_20:2)-H PS 18:1_20:2 65560506.2000 66837019.5300 64147669.7700 69866104.5700 68009766.4700 83712524.6200 97113836.6600 93768050.3700 87256117.6700 94050929.9300
PS(18:1_20:3)-H PS 18:1_20:3 7748139.8000 7436993.9740 6829172.5100 5498140.6960 6809063.2000 4145459.5930 4806238.2860 6834362.4970 4411437.8000 5553541.1630
PS(18:1_20:4)-H PS 18:1_20:4 20248556.5800 18686873.9100 19806851.5700 14703190.8100 16835563.1700 15801651.1900 22238657.8600 21314398.3700 21124405.0500 21223497.4700
PS(18:1_22:0)-H PS 18:1_22:0 16457822.7400 16386828.4700 16728130.9700 11700798.4500 14807679.6800 20787454.7700 29433716.6900 40702923.2000 19901565.6000 23272874.6500
PS(18:1_22:1)-H PS 18:1_22:1 26086664.8400 19073930.6100 21240487.9100 12106404.2000 21023402.8400 26275235.2100 32880411.8600 42503441.6600 31409756.9500 33061485.7600
PS(18:1_22:5)-H PS 18:1_22:5 15906094.8200 13344788.6300 13617435.8300 9926889.5810 12889995.5000 13018159.3800 14060856.2700 16311007.0100 14385415.1800 14409812.2600
PS(18:1_22:6)-H PS 18:1_22:6 45325715.0900 42217050.1500 47297981.6800 35483125.8400 40413336.5100 39678928.4300 44418652.1500 49507963.7800 41761181.5600 48192072.4000
PS(18:1_24:0)-H PS 18:1_24:0 7566273.9040 6188709.1990 5451962.6170 4424316.4830 7162344.4560 13735306.2100 13677410.0800 24193129.6100 13331882.0400 12968641.8200
PS(18:1_24:1)-H PS 18:1_24:1 5283157.9410 5739522.4490 4714934.3240 3537205.2040 4294467.1570 7028754.7990 12077747.7200 15708774.5100 9971088.0220 13797902.4700
PS(18:2_18:2)-H PS 18:2/18:2 6126905.4880 5120565.6700 6095000.9300 5977819.4360 5958523.2500 9798314.0830 10162168.4200 11024299.2000 8692887.6850 10458424.1900
PS(18:2_20:4)-H PS 18:2_20:4 4772710.8320 6473328.4720 4921672.0040 6547280.6770 5406195.3240 7105193.9130 7691347.2660 7533618.1280 6423326.7120 8870485.4890
PS(18:2e_18:3)-H PS O-18:2/18:3 945159.7090 784616.5189 741745.1198 604371.3443 693350.4994 689080.9925 1055753.3750 833801.0045 862122.0249 678906.9310
PS(18:2e_22:6)-H PS O-18:2/22:6 1910557.6610 1946663.9210 1742272.7800 1370255.9700 1463985.4210 2260081.1300 2397100.9710 2790694.7730 2579463.5620 1555888.9280
PS(18:3e_22:6)-H PS O-18:3_22:6* 17017045.8300 18042192.8500 17066347.4700 18120025.6900 18130694.1300 20478245.4100 21959096.7100 23704911.6100 20644359.0200 21665671.1800
PS(18:4_16:0)-H PS 16:0_18:4 4723420.9730 5205450.1320 5386515.2140 5733756.3620 4806221.7360 3472825.8450 5365101.5030 5804301.8660 4615603.1130 5674353.8870
PS(19:0_18:1)-H PS 18:1_19:0 8278237.4900 6239418.1940 15158936.4700 14007649.5800 14813552.3100 17306056.8500 9049449.9610 11422030.7800 17528523.2100 9260747.0180
PS(19:0_22:6)-H PS 19:0_22:6 41233.4560 377522.6815 705558.9411 625918.7997 231478.4713 539520.9182 240276.5040 923008.8552 1233101.5650 2297439.1690
PS(19:1_18:1)-H PS 18:1_19:1 6934979.0640 6701980.6500 8373297.7730 5237051.9560 6223436.5260 4726644.1280 9166862.7110 10066743.7900 7380335.9860 9603552.3730
PS(20:0_18:1)-H PS 18:1_20:0 19254255.3900 15104560 24578532.2500 15832704.2500 22575889.0800 14462651.4900 35514232.2200 35046017.5600 23981318.7800 33086815.3400
PS(20:0e_18:1)-H PS O-20:0_18:1* 24065858.3900 26755640.2700 24406240.5800 24262130.1200 22871757.9600 31498272.9200 23282511.7300 20753829.6400 22175403.0300 21648484.7300
PS(20:0e_20:4)-H PS O-20:0_20:4* 8873241.6880 9187661.0370 9022080.4420 8979300.7530 8676025.8120 14131100.2000 11138762.5300 9955322.9290 14069356.6600 10952266.5300
PS(20:0e_22:6)-H PS O-20:0_22:6* 1374091.9790 1047013.8930 1049927.4030 1064825.9460 1231602.2720 1537615.0100 1576592.7200 1219920.3410 1521609.7690 1876050.6980
PS(20:1_18:1)-H PS 18:1_20:1 10800785.6300 21998494.2600 34144328.6600 18050449.0700 31314267.5600 20368610.9400 31227373.0400 35505934.6800 23266306.0800 28145557.3300
PS(20:1_20:3)-H PS 20:1_20:3 8047001.7100 11296913.5900 9944530.5150 8432601.6670 11970939.4300 16041524.6200 6811853.4480 13008165.5700 12493994.4300 7775214.6530
PS(20:1_22:6)-H PS 20:1_22:6 73711275.4300 59231057.9200 48831038.6300 41581523.0700 62552013.3200 57323671.4300 52626551.6600 78921021.4800 61343912.9300 66347695.7000
PS(20:2_20:2)-H PS 20:2/20:2 10162721.8200 11045624.5700 10948935.4800 11637040.9200 10938735.4900 7091580.3300 6949503.5370 6450252.2460 6815691.7680 6781350.3880
PS(20:2_20:4)-H PS 20:2_20:4 11742050.2900 13440813.3100 12768789.5400 13176970.3300 12733579.9900 9697042.5100 12921087.1500 13908755.0300 11435354.8700 14134711.5000
PS(20:2_22:6)-H PS 20:2_22:6 335623.8652 1258104.7320 895903.2077 1021804.5050 1104226.2200 2137054.5290 3275314.1630 3247231.3700 2351453.8640 2438290.8400
PS(20:2e_20:4)-H PS O-20:2/20:4 2099229.7660 1096372.7850 1454351.4040 983267.7602 1135864.0160 1455466.1070 808281.1790 1363358.1220 1173266.9620 614105.5711
PS(20:3_18:2)-H PS 18:2_20:3 2402150.1290 3411255.2160 2532448.8780 3488847.1020 2604690.3690 3392329.5360 3885017.4730 4031904.2050 6178112.9270 4237535.8440
PS(20:3_22:6)-H PS 20:3_22:6 2925672.5430 2202153.2890 2450930.6590 1569181.7360 2527968.6820 1463605.8570 3092889.7280 3657343.0110 2329844.4440 3060665.8230
PS(20:3e_20:4)-H PS O-20:3_20:4* 7086544.7360 6818375.9700 6920010.7090 7513872.8650 7388003.6200 8030927.8660 10043725.4700 9182826.1680 8658651.1570 10055355.2000
PS(20:3e_22:5)-H PS O-20:3_22:5* 3168993.0400 3221907.0990 3031268.7870 3127547.8250 2935742.0340 3685852.8800 3575718.6440 3536053.9190 3480799.7590 3642390.1190
PS(20:4_20:4)-H PS 20:4/20:4 1717961.7830 1725166.7480 1589137.0360 1037387.3010 1606559.3680 1147854.5160 1896230.5650 2115748.5950 1441491.2000 2123803.2210
PS(20:4_22:6)-H PS 20:4_22:6 3076524.5020 3054328.3290 3224735.7360 2645024.8800 2716078.4530 1837790.3170 3052291.1960 3034068.1470 2463354.1190 2862170.3770
PS(24:0_20:4)-H PS 20:4_24:0 2609905.6060 2659975.7050 2690061.7740 2622153.8210 2444685.1690 4162902.6260 4108656.4360 4011019.5870 3843675.0590 3876136.9200
PS(24:0_22:6)-H PS 22:6_24:0 1268074.6510 1484085.9240 1502891.1900 1451056.1590 1256495.1260 2914291.0760 2993793.7870 2660309.7380 2752773.2880 3205457.8130
PS(26:1e)-H PS O-26:1 1131947.0210 77906.8538 114426.3697 63442.2394 205141.2612 497294.5538 505685.1179 316810.7884 441968.3700 311024.9740
PS(26:4)-H PS 26:4 2257767.9520 229654.5917 85499.7841 47647.2947 223353.6343 1171005.0490 910014.6934 371391.4396 838794.8016 366808.9987
PS(27:0)-H PS 27:0 8616481.5330 1410756.3100 1320427.6170 193635.7410 1647622.9600 3745756.1600 4833659.6970 2064884.9970 3696042.9610 2406360.1120
PS(29:1)-H PS 29:1 5490230.5550 965454.2346 951939.4153 512836.3233 881169.3135 2010280.6980 1941473.3100 900510.9850 1586329.5870 1015819.4230
PS(32:0e)-H PS O-32:0 2305840.6470 2529129.8610 2469910.9330 3034098.8680 2730577.8960 2787127.8140 2640228.0170 2470494.1870 2898664.4840 2142762.5690
PS(32:3)-H PS 32:3 782825.0739 642447.4091 864390.4672 971531.4528 844714.5700 1338028.7430 1107673.9420 1175694.4480 1340467.1290 1222561.3970
PS(34:1e)-H PS O-34:1 13895930.8000 13232541.0300 9117456.3870 7072536.5740 15854884.7500 19767733.7000 39366096.4600 6078694.1450 23535202.9600 27292259.4900
PS(34:2)-H PS 34:2 109574.1987 181095.7145 369475.5904 219327.0515 112182.3766 742348.3337 492602.1509 362433.7335 579614.0848 349234.6914
PS(34:3e)-H PS O-34:3 2059275.4190 1622808.2110 980026.9726 1093672.3770 2115188.0030 3139658.4010 3113336.3720 3589146.0560 3216818.3050 3582532.5200
PS(34:4e)-H PS O-34:4 1337912.9830 992031.5951 1193157.3540 973896.7231 1350235.5940 2064153.0940 1378785.1940 1612327.7720 1738024.3520 1518427.7820
PS(35:2e)-H PS O-35:2 3793109.5170 928346.0455 463174.0198 3415365.7860 3749611.2690 1286334.3830 7212378.8930 1619431.5750 7074465.9710 4913592.2080
PS(36:3e)-H PS O-36:3 5515770.1210 5682595.2380 5010289.9170 5780386.9650 5867452.1690 9001021.2240 9864916.2170 9954810.5320 9027551.6580 8941480.7120
Ps 36:4 PS 36:4 8044.1083 15748.4629 8016.5402 6018.5948 15059.9077 11146.4918 17865.0288 9745.2705 27827.9098 11139.3090
PS(36:5)-H PS 36:5 3203735.9390 2206595.6900 2850902.4980 3295675.1070 3115276.5660 2281145.4650 3884777.0170 2014714.5630 3959446.3210 4008520.1040
PS(37:1)-H PS 37:1 709445.1904 804977.3931 15613965.4300 15806962.5400 1358111.9320 26110177.1600 17559096.8100 20618353.3300 22166209.7500 1283209.3030
PS(37:2e)-H PS O-37:2 35482469.3200 39563892.7400 37470415.7600 39590192.7300 34380202.3900 56494480.0600 36096305.8600 41827017.1200 55427212.8100 43655095.6800
PS(38:4e)-H PS O-38:4 491476.1680 329573.3164 518201.0219 247890.4075 329027.0971 196318.8966 1445339.1610 371308.8899 545800.9809 494467.0661
PS(38:5e)-H PS O-38:5 1034427.4370 739567.4473 393983.2337 423626.0106 263397.6613 348985.9870 393282.4041 1053433.1880 692001.4244 627459.4141
Ps 38:6 PS 38:6 17464.6470 32059.6941 16756.1505 10840.8220 30331.5274 17109.7671 32655.5261 16369.5459 46114.3948 20873.5938
PS(38:7)-H PS 38:7 2654604.6550 2899717.7530 2567324.6030 3182624.9290 2564401.5880 3409644.5920 3682720.8280 2733121.7290 4240462.1200 3307620.0700
PS(39:4e)-H PS O-39:4 3936142.0390 4334876.4010 4219984.9200 3198929.8810 4101149.0080 5690971.5860 4829583.0570 4916019.5970 28866224.3700 3892132.6170
PS(40:3e)-H PS O-40:3 3346963.4370 3584953.8610 3280440.8520 3303665.2980 2664216.6290 3319363.7220 2417067.0180 2458484.9990 3662607.9690 2570956.9710
PS(40:3)-H PS 40:3 6707957.6100 7151048.3080 7307359.6600 7195675.0750 6657983.9690 7578695.1610 7632871.9560 8124300.7510 7373633.7290 8185866.8600
PS(40:4e)-H PS O-40:4 4496234.1360 2262140.0290 3530225.1180 1545751.3260 3803032.5160 5222808.7930 2023970.7100 2761967.3080 4049072.8600 3174476.2960
PS(40:5e)-H PS O-40:5 3694788.2040 3016079.6720 2781430.2980 3158330.6020 2113702.4940 3596685.9620 3042617.9140 3439824.3470 3174300.2830 2428481.5270
PS(40:5)-H PS 40:5 9099594.4420 9186445.4740 8781365.3880 9565709.0400 9669414.7060 9721947.2960 9309016.6810 9737481.4060 9747308.1250 9769989.7570
PS(40:8)-H PS 40:8 3609171.9330 4838318.0950 4330655.1200 4249858.8010 3805538.0810 3081378.1840 4224312.6550 3770774.1310 3587303.1680 3968635.6890
PS(40:9)-H PS 40:9 3666298.4040 3915595.7760 4229269.6510 3863431.0620 3789337.5310 5108234.1150 5561623.2400 4842557.8360 5334326.0630 5500500.1390
PS(41:6)-H PS 41:6 5480753.5100 5168119.8820 5597823.7960 5016550.5380 5007406.1980 4898048.9670 6303176.9370 9447071.8540 6210643.1380 5121424.0940
PS(42:10e)-H PS O-42:10 6864921.9970 6324111.3980 5759566.8820 6735593.4060 6499914.8280 8510596.3030 9368677.0830 9186443.6380 9125827.4720 10155608.1900
PS(42:10)-H PS 42:10 2272736.2450 1897706.7840 2091073.6160 2763883.5990 2737676.2910 2286775.1820 2584633.3700 2196036.7400 1973105.8210 2270614.9380
PS(42:3)-H PS 42:3 1861395.7130 2306905.3710 1753448.7260 2145498.6820 1918476.5780 2788861.6730 3769693.7550 2689942.8660 2303839.9310 2082752.7740
PS(42:4e)-H PS O-42:4 2403501.8690 1186343.5490 1682467.3960 1576133.8150 1580741.8130 2392986.3500 1781688.2370 596300.5309 2649170.4590 1934075.3680
PS(42:4)-H PS 42:4 3413011.4320 3479007.9480 3540273.5640 2798232.7110 3783260.5720 8210994.6860 5289338.3090 2442209.3570 5031419.1030 2806618.7040
PS(42:5e)-H PS O-42:5 9017111.1300 6945532.2380 11676468.8000 7637344.0810 10236109.1600 12292436.9700 10836569.1800 9197427.1790 8290919.9030 9178400.5780
PS(42:5)-H PS 42:5 2291083.6670 2305312.8730 2410941.0890 1959616.8300 2561773.5120 1643514.9950 2185465.6440 2064462.3310 1878165.8940 2016535.9050
PS(42:6e)-H PS O-42:6 1199625.6550 1459384.3500 1273548.0100 1337727.4660 1199699.0590 487596.2440 806413.5961 702163.9113 469485.2895 944586.5299
PS(42:7e)-H PS O-42:7 676543.1834 868888.8628 640934.0409 680170.9977 636240.5243 1420505.6860 1090663.0230 1144021.8590 1338719.3100 1306552.6170
PS(42:7)-H PS 42:7 1107700.5380 1506222.4420 1556345.2690 1520700.5270 1474232.0570 1841524.9240 1917721.1630 2127816.2110 2131121.0080 2047595.3660
PS(44:3)-H PS 44:3 4328932.7710 4507852.3340 4302966.4620 4393690.9280 3968927.7350 7286539.4060 5682696.1060 5442705.0800 5964248.1140 4731895.7810
Pseudouridine Pseudouridine 30109.6706 36460.9197 28984.9876 6677.1994 9189.1262 7339.0156 7404.6279 7154.5187 10282.8017 9149.7796
Pterine Pterin 443080.1346 595556.8769 686745.0954 459248.4776 475928.5683 656347.0335 894196.3671 764534.4528 816837.4008 760092.6017
P-toluenesulfonic acid 18961.8511 18002.1979 29599.5145 13024.4001 47487.9445 5961.0581 26374.5660 19833.2697 12826.4239 26848.2874
Pyridoxal Pyridoxal 398856.9315 179811.5666 68493.1832 165194.0110 200397.3446 256084.9891 159424.4514 330217.8447 200952.0695 280171.1034
Pyridoxamine 5-phosphate Pyridoxamine 5'-phosphate 4030.9268 14791.4617 8492.6543 8813.3685 11361.5179 5303.6018 8267.0554 3368.4704 5251.3545 6238.2080
Pyridoxamine 5^-phosphate Pyridoxamine 5'-phosphate 37930.3060 47210.4372 38006.8803 59297.5923 32618.5711 39738.5681 63206.1665 46111.1670 61887.0025 27683.6449
Pyruvaldehyde Pyruvaldehyde 26619.0648 26908.1926 33937.2398 20297.1927 16772.7936 9284.1582 15391.6593 10363.8879 12168.9432 14530.3217
Pyruvate Pyruvic acid 40477.8448 36050.3701 31228.9752 39466.2977 43386.8311 33891.8082 44123.5144 39368.6214 53168.9814 47673.5564
Quercetin-3-o-vicianoside 109066.9643 105820.4056 124625.0450 89660.6666 41962.9332 282197.5823 174020.8539 114199.9012 68970.5265 82563.9297
Quillaic acid Quillaic acid 3518.6287 2418.9971 1343.3084 2143.7028 931.3929 5282.4435 24380.6733 2817.8710 4937.7244 4686.1347
Rauwolscine 108810.2061 170942.1137 82776.6310 143816.1922 99394.5089 178885.7313 174622.4104 99347.4798 97665.1380 81710.9768
Rhaponticin 1191.7405 983.6141 1137.2144 1624.7217 1489.3876 484.8604 1191.0690 1450.3820 1953.0563 1306.4260
Ribitol Ribitol 31234.1547 25467.4417 22648.7098 25702.3408 23256.9169 32246.5845 36761.5860 35575.5370 37898.1400 32580.0255
(-)-riboflavin Riboflavin 79601.0179 102470.3154 92078.0181 85830.5967 112166.8359 33404.5089 44676.2947 44616.8571 39147.8302 54001.5474
Rutaevin 11036.9359 7949.9775 8426.7940 12058.4318 10477.7431 8451.5603 8485.9618 10201.6512 11013.9561 10565.5978
Rutinose 246983.3414 240777.7122 197920.0423 268028.6791 280178.3167 139398.0747 144467.0865 160235.5932 169176.9096 163022.3868
(S)-2-aminobutyric acid 289402.2046 294628.9985 283989.6778 312417.1717 253269.2800 258472.3444 374417.1379 340524.6398 399790.2488 324841.2741
(S)-2-Hydroxyglutarate 2-Hydroxyglutaric acid 313132.9819 304577.8912 305170.5205 320234.7514 294548.4288 263752.5542 361792.5717 312265.6604 363054.5662 355397.5502
S4:18(p3:16/f1:2) 36263.3390 9783.8901 8129.0777 14729.6528 9683.5404 27159.8381 26142.3782 28689.4520 52341.0521 27405.1654
S-adenosyl-l-homocysteine S-Adenosylhomocysteine 87644.9740 138596.9070 126753.7768 162862.5975 78616.1590 92951.4773 114416.0255 138316.9740 112627.0849 70085.1554
Saikosaponin a Saikosaponin A 12547.4532 8134.1247 9923.3128 8979.3269 5564.7877 10560.2370 24900.1370 9450.8052 6902.0316 6629.2740
Salmeterol 10531.3863 12791.5282 5980.5019 11861.5023 10114.9993 4915.2145 10749.4823 18742.9453 8655.5179 15583.8451
Ser-Ala Ser-Ala 19062.7093 18306.3522 13118.8628 13130.4215 11745.7416 7765.4343 35889.7265 18060.1517 11896.6123 16284.9572
Ser-Asp Ser-Asp 21392.9699 18386.1347 13508.3521 18599.7771 17264.4839 18951.2839 26818.0384 24797.2498 29485.3917 24577.8675
Ser-Gly Ser-Gly 5974.0982 5138.9294 3977.8454 6073.3787 4560.2639 4871.2880 10537.2967 8414.9154 7719.2519 5038.7739
Serine Serine 103870.0843 106536.7065 104240.0710 117946.0693 127560.2926 85311.2152 127510.3896 141570.4183 162104.2888 155190.8689
Ser-Ser Ser-Ser 5828.0025 6645.4107 6221.4847 7305.3428 5796.6554 7847.9187 17274.0704 8663.2191 10997.3911 7808.0607
Shikimate Shikimic acid 1613.0351 2292.1830 1597.5171 2037.2225 2687.7647 1991.1178 545.0068 2174.0224 1257.7226 2813.1656
SM(d30:1)+HCOO SM 30:1;O2 3905505.7820 4284391.2950 4171797.6240 4030966.8650 3782535.0520 4962536.9480 3353643.9160 2901662.4320 3967215.8600 3217972.6730
SM(d31:1)+HCOO SM 31:1;O2 6506088.6810 6594453.9340 6805704.7230 6064820.6340 5927545.3470 8111286.5860 5615060.4460 5192161.5810 7250292.8860 5260714.4440
SM(d32:0)+HCOO SM 32:0;O2 23450915.8400 21688451.7700 25094783.3600 21644939.1500 21197908.2100 23837926.0200 16743682.5700 18760715.3900 21233104.1300 17730887.8600
SM(d32:1)+HCOO SM 32:1;O2 385364746.2000 401937962.2000 394034676.9000 361710386.6000 364979715.3000 504314690.5000 369225767.6000 343709386.7000 462689014.6000 352412797
SM(d32:2)+HCOO SM 32:2;O2 6448146.7460 7600662.5040 6864995.5190 5895792.7230 6028941.9330 7882590.7990 6947258.1220 6532504.9260 7811846.5970 5576409.9820
SM(d33:0)+HCOO SM 33:0;O2 4688832.0550 5572483.2700 4769958.5950 4443691.9210 5109232.6200 5401788.5230 4789717.9360 4806418.1070 5879215.2450 4407868.8290
Sm d33:1 SM 33:1;O2 1177.7226 2669.7415 1682.6436 1603.3058 731.7146 1608.4167 2533.6898 1772.6111 5970.8216 1379.9871
SM(d33:1)+HCOO SM 33:1;O2 292800147.3000 339519562.6000 316011945.7000 312594902.6000 293505280.2000 377768168.1000 304316116.1000 292087762.5000 372118397.8000 287475237.8000
SM(d33:2)+HCOO SM 33:2;O2 3475566.7690 3645071.4440 3743667.7550 3450186.7710 3527307.6300 4520940.2060 4333549.7060 2953802.1210 5322566.8100 3995714.1780
SM(d34:0)+HCOO SM 34:0;O2 307791557 324427269.1000 321451084.1000 307180159.6000 301525079 339289852.8000 262482883.6000 314897251.3000 322205467.7000 312587460
Sm d34:1 SM 34:1;O2 32607.4006 64624.8016 37098.2565 22803.9770 40123.7382 31597.5647 61567.5322 43668.0223 101017.6842 49936.0305
SM(d34:1)+HCOO SM 34:1;O2 2195873022 2340814943 2333344166 2244123257 2214935084 2790736143 2532941153 2424081670 2855045004 2428266662
Sm d34:2 SM 34:2;O2 9310.6168 14259.1006 9664.7721 7623.0209 12671.8808 7476.2809 13954.4322 11929.1843 24771.4498 11629.7245
SM(d34:2)+HCOO SM 34:2;O2 398015304.4000 408843579.4000 444910784.2000 416026324.9000 395802183 593063941.8000 439697453.1000 434328182.4000 552948406.3000 410962881.6000
SM(d34:3)+HCOO SM 34:3;O2 503705.2482 549800.5827 405746.1810 320797.3699 273176.8119 857058.6101 519124.9910 504055.6956 797423.3741 629114.8163
SM(d35:1)+HCOO SM 35:1;O2 40635786.6300 39014163.5200 33575671.7700 27870430.7700 52679065.5600 51402402.0600 53414844.6900 40920899.7800 50180623.0600 36212136.8700
SM(d35:2)+HCOO SM 35:2;O2 7446804.6430 7476190.3250 7413695.5410 7182262.6680 7135047.7870 11447916.1900 7719543.8740 7736157.2010 10024463.3200 7755034.9390
SM(d36:0)+HCOO SM 36:0;O2 11876902.5100 12192450.5400 11601642.9700 11408139.2100 10657613.6800 11413609.9500 8152616.4620 12184986.9500 9095007.8820 9265435.9690
SM(d36:1)+HCOO SM 36:1;O2 203557770.4000 215843669.2000 207464720.8000 196845208 187267137.9000 209778223.8000 178833804.1000 166483019.6000 195862103.2000 172600254.6000
SM(d36:2)+HCOO SM 36:2;O2 50733743.9700 56761641.8800 50044894.4500 48276685.4000 50235629.6300 52642711.9300 43236583.5500 41576091.6700 48045659.0800 39676617.5400
SM(d38:0)+HCOO SM 38:0;O2 11238497.1100 11944390.1800 11986961.4200 11174255.1500 11833140.4800 15087202.6600 12539442.3100 11948432.2300 13594624.0500 13225715.3900
SM(d38:1)+HCOO SM 38:1;O2 88588804.9900 85856156.5700 84883991.4400 80834790.5000 79990106.7000 100936550 75880935.8400 72146610.4700 87628460.5300 76892591.8500
SM(d38:2)+HCOO SM 38:2;O2 5765449.8640 5706969.5460 4435697.3750 3724301.5410 4496852.8610 5183659.9130 3494841.6020 3079474.7790 3962696.5360 3124211.7390
SM(d40:0)+HCOO SM 40:0;O2 60307910.3900 60517803.9900 57497142.7100 52240800.1900 58223908.2100 62961318.1400 47173447.7000 59653388.1800 57351210.8800 51447156.5200
SM(d40:1)+HCOO SM 40:1;O2 778935757.7000 797447529.6000 787065325 751385122 727736796 897185409.8000 726372807.2000 713824577.1000 836346786.2000 716782193.1000
SM(d40:2)+HCOO SM 40:2;O2 107794705.1000 100696600.2000 108378347.8000 101518641.7000 95718117.8300 147793759.5000 113411174.6000 98776534.4000 130746476 113549032.3000
SM(d40:3)+HCOO SM 40:3;O2 517366.1484 1511488.3920 691823.3445 907193.1054 904281.3812 3002647.2420 1826653.3510 3382775.0700 2666605.4420 2795340.5210
SM(d41:0)+HCOO SM 41:0;O2 8273764.9800 8794437.2120 8807076.5040 8115852.2950 8990472.6340 8866711.0870 5917678.0300 8291941.5750 6753345.1640 7023013.9100
SM(d41:1)+HCOO SM 41:1;O2 313615657.7000 338840057.5000 349303909.7000 309378890.9000 325628829.2000 399877124.2000 286601039.2000 279966947.3000 353300276.8000 300725002.7000
SM(d41:2)+HCOO SM 41:2;O2 148919859.6000 149884972.9000 156011504.2000 152554968.8000 132883007.9000 217237378.8000 167096746 141822791.5000 190835064.7000 161204373.5000
SM(d42:0)+HCOO SM 42:0;O2 68594177.7000 71391031.6900 72175088.0600 62861611.7200 63767496.7400 68398687.1200 49353929.0600 72659446.9600 57670328.5100 51491754.8000
SM(d42:1)+HCOO SM 42:1;O2 176450515.9000 190711175.4000 190614123.5000 179984006.2000 171911764 186816114.9000 144261239 168043385.2000 180393231.5000 151629659.3000
SM(d42:2)+HCOO SM 42:2;O2 4160592203 4130550413 4243073791 4024079769 3916041663 5398973972 4344827356 4025287993 4994223049 4221011591
SM(d42:3)+HCOO SM 42:3;O2 270567735.2000 267334765.1000 265606697.7000 256297944.1000 255851221.3000 414364427.5000 313182850 290959841.7000 378448565.1000 315258190.5000
SM(d42:4)+HCOO SM 42:4;O2 7414510.5590 7756880.2290 9063947.2150 6832743.0970 6794054.6160 15270800.2400 9907780.6230 10331641.3200 14040206.1100 9514270.3210
SM(d43:1)+HCOO SM 43:1;O2 23062045.3800 22699640.4800 23255839.8500 19263647.6500 19045823.8100 33363983.7500 21352338.4300 18182853.6500 26569902.3100 20752580.5000
SM(d43:2)+HCOO SM 43:2;O2 3211220.7730 3489482.3320 2250548.3060 2892683.1070 2233649.9460 113709338.2000 77932270.5200 2573228.1420 3467722.1700 3276109.8160
SM(d43:3)+HCOO SM 43:3;O2 3567963.9460 5105835.9960 5120344.8310 4782646.9310 3487162.6180 6518837.0080 6302958.7050 4904352.9600 6875528.1240 6029448.1550
SM(d44:0)+HCOO SM 44:0;O2 1595816.4770 1863774.6900 1745915.5570 1747866.9770 1595183.1820 1343203.4590 1080176.3500 1768847.3120 1236641.4420 910948.9999
SM(d44:1)+HCOO SM 44:1;O2 3686156.5890 4779626.3220 5032961.7380 4146099.1070 5418494.8300 2626334.6450 1503978.9430 1273727.6540 4573011.3580 2250754.4380
SM(d44:2)+HCOO SM 44:2;O2 72874425.6000 80374809.9900 80327747.2800 76359403.5800 67227769.0100 79813818.2000 67430882.4400 57269472.3900 74745691.4400 68297158.8500
SM(d44:3)+HCOO SM 44:3;O2 15366253.2900 15067111.3800 16702061.3500 16072735.4400 14304957.4400 23238960.8100 19006259.4200 15912973.3200 21085787.1600 19353821.7700
SM(t31:0)+HCOO SM 31:0;O3* 1951771.4490 2799736.4260 2734087.5410 3019658.6330 2572887.5580 3471618.8920 2899435.2460 2793498.1400 2688971.4650 2401710.5060
SM(t32:1)+HCOO SM 32:1;O3 3349931.2390 3338319.1800 3499737.4440 3015865.3610 3337800.1240 5513327.8160 3858766.7210 3897161.7640 4997678.8460 3699106.3500
SM(t33:1)+HCOO SM 33:1;O3 481372.3557 574108.3443 599490.3356 457730.0275 391422.4798 888926.1421 514736.6793 383197.5700 639433.9001 480119.4810
SM(t34:1)+HCOO SM 34:1;O3 6575780.4670 6884512.9710 7082207.0820 6143639.1040 6164053.3530 10514509.2200 7537967.7020 7198652.9350 9458479.7180 7046704.6230
SM(t34:2)+HCOO SM 34:2;O3 14760413.0200 15182164.1300 15483856.8800 14178757.5200 13502689.3500 24222618.5700 16488413.4800 16400886.4500 22597074.5600 17287586.1900
SM(t38:0)+HCOO SM 38:0;O3 4588484.2500 4062083.3510 4628151.8320 4232325.0570 4477412.4830 5060194.2390 5090541.1430 5393301.4400 4922759.6650 4818389.8010
SM(t39:0)+HCOO SM 39:0;O3* 5911286.3780 6377846.5720 4858573.5840 5116865.9030 5962399.3530 6142851.2720 6084772.1410 5499307.3350 5927187.0130 5700736.0460
SM(t40:1)+HCOO SM 40:1;O3 1604649.5960 1941889.9390 1768520.8030 1648714.6900 1666760.6420 2799565.2290 785172.4637 695158.5214 1598990.9170 1704630
SM(t41:0)+HCOO SM 41:0;O3 3155703.3050 2900601.9050 561854.3628 2538162.6910 3101163.9790 3081182.1570 1360728.3380 1252945.7390 4091525.8740 1064343.8240
SM(t42:0)+HCOO SM 42:0;O3 4148345.0610 3856527.1860 3972974.7210 3524016.5360 3709984.8890 4343921.7850 3533977.0360 3374787.7600 3858165.2990 3273260.9630
SM(t42:1)+HCOO SM 42:1;O3 15062948.3600 14913069.6100 15770034.2400 14388988.0600 13902120.4400 18667705.9500 14483692.3800 13283702.0900 16477764.7000 14101874.1700
SM(t42:2)+HCOO SM 42:2;O3 4285371.7240 4264666.2870 4048216.5400 3921419.2370 3396794.4000 5404767.7500 4588919.8480 3874193.0610 4582578.5320 4484205.3950
sn-Glycerol 3-phosphoethanolamine 6943834.2600 7009784.1430 6424709.8640 6968212.0240 6394791.4020 5664014.2110 7922851.0350 7477657.7010 8126959.1670 7935032.8420
Sorbitol 6-phosphate Pseudouridine 16746.5972 19223.3270 20410.4560 18487.5630 14907.7259 25825.4806 39789.2046 26832.0243 34433.0403 27459.1618
Stearic acid Stearic acid 8932.1977 11069.6196 8419.4634 8331.3369 9190.7151 17220.2787 3046.1347 18604.5608 38682.4813 11823.3790
ST(t31:0)+HCOO SHexCer 31:0;O3 499714.2991 856367.2554 1171123.9950 973777.4265 660183.6407 588579.1930 860698.8599 833524.7383 570126.7383 867384.7715
Subsessiline 9399.3734 10790.3013 9528.6004 10330.2960 8910.8349 6338.8484 9580.3723 6731.5518 10524.3959 7453.8861
Succinate Succinic acid 925.5495 1765.1108 1020.5687 1204.0672 1167.6807 598.1292 1328.5295 746.4051 2215.9438 1975.9478
Succinimide Succinimide 11721.3199 15316.0404 12971.2044 12997.4803 17417.8144 13956.4029 17810.7279 14408.1310 17001.9106 12016.1225
Succinyl coenzyme A (Succinyl-CoA) Sulfosalicylic acid 1008.4317 964.0272 1051.4784 747.3990 892.9787 1172.4740 1295.4530 1257.5806 1037.9266 1302.7632
Sucralose Sucralose 7566.1339 12021.2366 10829.6146 17839.4102 9789.2569 2968.5641 2302.5240 2191.2678 3679.5183 4100.8419
Sucrose Sucrose 27461.2686 23121.5491 19283.4725 27262.2070 38401.7936 16542.8000 28924.4871 11772.7773 38725.5912 32721.6341
Suxibuzone 843.9238 739.4272 781.2773 1012.1217 765.2423 859.9530 985.4903 800.6627 890.5908 727.7782
Swietenocoumarin b 20829.1299 18947.8386 15303.9280 15215.4454 41259.6590 47066.6725 13299.9867 14397.8189 11561.6408 12847.0982
Syringic acid Syringic acid 1912.9268 1016.0627 2025.0889 1224.7791 1740.7108 1221.2294 1381.6405 1488.1553 552.8540 1200.6114
Taurine Taurine 93227.5478 99398.2438 128333.4958 39167.7209 46686.9426 118369.5478 174512.9179 161754.1600 161569.7378 173563.7305
Taurochenodeoxycholate Taurochenodeoxycholic acid 60584.0227 62432.2741 47475.9450 60171.5368 123266.8216 19700.9660 20145.9481 20874.9502 23877.6803 25177.3090
Taurocholate Taurocholic acid 8503.2628 8860.4880 5907.1932 9876.5961 9623.1010 4588.4883 3470.5091 2583.0278 2272.2745 2250.0070
Taurolithocholic acid sulfate Taurolithocholic acid sulfate 3545.5362 7619.0034 11682.6455 14173.3102 4813.7033 6082.9061 9471.1437 11746.4502 6675.1621 3697.6287
Telmisartan 6471.4612 2494.2858 5402.0071 3687.6871 5616.3232 3634.2991 27853.4604 5418.5957 6336.0161 6298.0304
Teniposide Teniposide 3243.5384 3836.0061 1929.6495 3380.1524 3473.6027 2903.5999 3094.1652 3122.7133 2395.2603 2041.6718
Tetrahydrogambogic acid 6546.4510 8417.3933 11559.9147 6077.3085 6976.3464 9374.6487 9466.8862 8083.0044 7930.1663 9028.8702
Thiamine monophosphate Thiamine monophosphate 3553.2907 3926.1896 2831.7956 4214.1499 3531.1944 2008.8880 3011.6057 1445.3739 4185.4758 622.2911
Thiamine pyrophosphate (tpp) 23479.0407 28620.1352 21362.0229 21954.5839 15406.5617 26070.4493 22105.8331 28159.0674 37488.0552 14696.3893
Thr-Asp Thr-Asp 272139.8713 248084.4050 185865.9252 182062.8528 203802.6149 214644.7565 241936.1549 237181.6299 281642.0745 269007.0997
Thr-Gly Thr-Gly 25360.1389 23716.3021 21617.0197 21967.1539 20974.4434 27436.0153 41192.5095 33442.6951 37526.9347 37516.9530
Thymidine 5^-diphosphate 91619.2924 66460.0180 82429.1852 70121.7946 73053.0750 46721.9573 93429.0938 80683.7395 69450.3047 79909.8340
Thymidine 5^-monophosphate TMP 23971.3863 4448.6324 2767.3833 6153.0351 4893.0602 3428.5498 5406.5444 3986.0160 6136.3390 17092.6597
Thymidine 5^-triphosphate dTTP 15910.4569 13540.8231 20670.6102 22207.7064 16685.2783 19018.0069 52553.3243 19542.1249 19154.6278 12232.9707
Thymine Thymine 9759.5369 12191.0656 19222.4420 10243.6059 7482.6163 37042.1137 27630.5426 16885.7494 23056.7723 20822.5660
Thymol-beta-d-glucoside 448953.7715 598109.0819 474281.7534 505907.8491 525902.1731 791875.3877 434378.3691 653371.6225 299816.6738 519233.3964
Tigecycline 2142.3971 2546.4601 2889.3695 2676.6047 2611.3624 2599.6729 3070.1663 2103.4330 2543.3706 2082.6776
Trans-crocetin 794.3719 646.3071 1102.8910 476.3073 635.5494 706.3348 916.7304 1483.3558 710.0106 546.5301
Triacetic acid lactone 25649.1325 27064.7998 24942.5331 29021.6991 24028.9380 26640.2937 30046.1148 29247.4581 38467.7449 36916.1487
Trihydroxycholestanoic acid Coprocholic acid 5119.6406 4045.9614 3900.2227 4484.1148 3291.2956 2400.3959 2713.8482 3097.3510 1513.5380 3197.7786
Trp-Cys Trp-Cys 4285.9349 5653.3825 3122.0580 14958.2014 8335.7824 1721.7634 3455.0531 3912.0623 4449.2576 2990.1417
Trp-Glu Trp-Glu 30333.4810 35838.7040 28366.1828 23029.4240 31270.4261 39403.6419 41951.3848 45832.6406 45956.4297 64357.1525
Tyr-Glu Tyr-Glu 66770.1631 75449.1151 61127.4327 41700.0708 62236.0287 82398.6114 161914.9789 137634.3454 184432.2465 156252.2924
Tyr-Gly Tyr-Gly 2132.1225 2584.9113 2358.1685 2501.0596 2314.2438 2533.2610 4300.0656 4181.7609 4384.5917 4017.0798
Tyr-Tyr-Tyr Tyr-Tyr-Tyr 6834.6029 1424.3774 686.7722 6035.6857 6521.5187 276.5404 3870.9815 5571.1380 4783.1798 2631.8110
Udp-d-glucose UDP-glucose 555326.4756 635533.7130 625099.3697 566389.6124 530343.7267 634341.0209 772349.3889 650594.1394 705485.6722 760897.9924
Udp-n-acetylglucosamine UDP-N-acetylglucosamine 48727359.4500 51490629.2700 42668986.5500 43980546.1600 49025790.2800 63567914.8400 82375311.3200 84932495.6100 97189355.1700 91335318.4200
Udp-xylose UDP-D-Xylose 281786.3478 270933.4639 231085.9360 200686.1417 211214.5146 258745.3633 363736.2284 285780.9987 351682.4996 276536.2554
Uridine Uridine 1019700.1430 929099.2221 1030435.9900 1832517.9900 916148.1264 275926.2468 308094.4384 402302.2317 693355.9782 196499.2863
Uridine 5^-diphosphate UDP 6382495.1790 7061377.2680 6603972.7890 8395280.0800 8081149.7410 4792426.8220 8639759.9570 8614738.4140 10835646.5100 6803652.4570
Uridine 5^-diphosphate (UDP) UDP 613241.8392 621916.1528 622293.7415 667490.0810 636017.4024 571804.4587 546499.4605 638287.9397 723256.1853 439481.9644
Uridine 5^-diphosphogalactose 20793352.3600 22282137.9600 19181273.9900 20133936.9000 21107827.4800 15154515.9200 18831119.3700 20436354.0600 21263440.2600 24238006.5600
Uridine 5^-diphosphoglucuronic acid UDP-glucuronic acid 11306821.8500 9790552.0690 8082024.3780 9699790.5230 7586809.4140 6999759.4220 7980410.9530 8917998.0930 10820966.5100 8643673.3590
Uridine 5^-diphosphoglucuronic acid (UDP-D-glucuronate) UDP-glucuronic acid 87538.5670 12441.9416 60155.2737 79187.1259 184443.4978 97299.2027 58892.7806 85203.9991 64845.2017 45201.2147
Uridine 5^-monophosphate UMP 564368.9203 461541.2032 451575.3102 537613.4163 503835.6088 525701.4059 2285209.4290 622196.5397 634595.8655 386915.1002
Uridine 5^-triphosphate UTP 1702022.3460 1801033.2410 1689012.4170 1938414.7090 1650339.9970 1305804.6760 1124813.0620 1441161.3120 1954369.3910 1385158.6100
Uridine 5^-triphosphate (UTP) UTP 29337.0406 46344.0107 37531.7760 37697.9249 33839.9936 59558.0720 57353.3504 69003.3809 72800.0075 83387.7800
Uridine diphosphate glucose(UDP-D-Glucose) 59262.8826 43352.7327 91438.8799 103896.4386 83531.3371 77537.8088 87655.6965 87488.3353 58846.7894 80772.3881
Uridine diphosphate (UDP) UDP 24356.2085 26117.0487 26612.0469 34326.0594 31372.5371 26992.0789 31484.8902 27587.0707 32545.7044 30529.1981
Urocanate Urocanic acid 1593.5873 2939.1781 2226.4845 2113.8953 1862.8616 3180.9263 2079.8524 2616.4535 2328.4690 2669.5835
Urocanic acid Urocanic acid 43171.6282 39374.0080 33341.1622 45137.3479 66576.3915 41724.2619 53126.2664 52541.5065 110032.5620 46319.0974
Val-Ala Val-Ala 42908.2076 46402.9661 39020.2975 34189.8630 34473.0162 16300.2322 28322.4583 25335.8296 31558.6660 38724.7973
Val-Asp Val-Asp 104278.8805 99711.5234 87491.4738 68372.0195 80580.9980 71514.6263 120638.0319 87183.4969 97018.0420 116005.2317
Valeric acid Valeric acid 176504.7009 203373.3487 82336.3959 196098.5599 155586.8302 59813.5866 116874.1377 170864.1956 103640.1000 107252.3278
Val-Gly Val-Gly 3148.6020 6637.8858 8564.4120 5594.6721 5965.7503 10731.9190 19193.7514 4459.6524 10339.7947 8874.9446
Valine Valine 1092860.3310 1288421.5070 1082094.7500 538400.0470 674547.9932 1562351.6860 1945869.9050 1801222.8610 1832641.3050 1985612.4130
Val-met Val-Met 4352.4922 2431.1173 2850.9578 3039.0392 6600.6443 3252.3649 7328.0199 4534.6592 5665.6884 5531.0069
Val-Phe Val-Phe 4688.7575 5713.6444 5155.3413 3494.0293 3755.4025 3297.6358 17259.8466 7655.7919 6860.8620 7011.2459
Xanthine Xanthine 93340.6134 92057.5537 69924.9288 92972.7546 102894.8752 15983.7011 22114.1988 26293.8226 35491.8172 33630.9660
Xanthosine Xanthosine 54442.3259 57073.1115 49481.3772 65932.2173 56943.7968 7838.5473 21787.6268 15437.7673 24150.3052 9928.9939
Xanthylic acid (XMP) 17285.3382 15807.9189 16507.2509 14375.3513 15633.4872 15027.7914 21289.9528 22290.5665 27257.2117 23250.3821
Zanamivir Zanamivir 1515.3600 1538.5015 1745.8556 1086.0529 1050.9886 1571.9790 2904.6060 1644.6147 1454.5657 1677.1368
Zinniol 729539.5504 969231.0452 612166.2884 992691.4998 601134.3246 1424517.4200 1492892.5010 893957.1147 790701.1550 775186.9195