Validation Log 2025-12-15 01:06:20.824613 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004317/mwtab/txt Study ID: ST002645 Analysis ID: AN004317 File format: txt Status: Contains Validation Issues Number of Issues: 14 Number of Warnings: 7 Number of Value Errors: 11 Number of Consistency Errors: 1 Number of Format Errors: 2 Issue Log: Error: The required property, "COLLECTION_SUMMARY", in the "COLLECTION" section is missing. Error: An empty value or a null value was detected for the subsection, "TREATMENT_SUMMARY", in the "TREATMENT" section. A legitimate value should be provided for this required subsection. Error: Unknown or invalid subsection, "ANALYSIS_DETAILS:", in the "ANALYSIS" section . Error: An empty value or a null value was detected for the subsection, "MS_COMMENTS", in the "MS" section. Either a legitimate value should be provided for this subsection, or it should be removed altogether. Error: The value, "0.4 ml/min", for the subsection, "FLOW_RATE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['mL/min', 'uL/min', 'μL/min']. Ignore this when more complicated descriptions are required. Error: The value, "50C", for the subsection, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "310.2867_7.054" "327.3132_6.748" "327.3132_7.05" "310.2867_6.752" "626.5264_4.65" "626.5268_5.487" "368.344_9.708" "368.344_9.331" "532.0813_1.649" "3184.3096_5.179" "508.2898_2.583" "1759.2145_2.461" "796.6453_5.681" "342.2877_2.107" "795.0699_4.564" "3182.3034_5.179" "1584.0925_5.512" "892.6918_8.361" "766.621_4.847" "1575.09_5.696" "749.499_3.994" "835.5477_3.98" "818.0591_4.688" "901.7337_8.74" "1593.0718_4.117" "795.0681_5.031" "3229.1979_5.265" "908.7226_8.589" "1708.4465_8.389" "972.8894_9.73" "811.6621_6.81" "1967.3245_2.445" "820.5441_5.337" "1676.3946_8.052" "687.5796_6.015" "231.1654_2.581" "961.8088_8.283" "2986.8729_7.471" "199.3671_5.245" "913.7974_8.842" "1235.0253_6.674" "3954.7821_4.33" "868.6657_3.963" "872.5538_5.391" "1820.1136_5.393" "1220.8402_4.403" "2159.4522_2.413" "944.5527_5.405" "1039.8555_8.029" "858.5946_4.197" "938.7689_9.093" "731.6055_6.901" "1544.0406_4.794" "619.59_6.81" "1718.9701_3.899" "1004.7796_8.712" "785.5352_5.521" "908.8502_9.475" "947.4836_5.478" "894.6324_6.993" "183.0659_2.353" "1718.5347_9.491" "515.3245_2.067" "808.655_7.846" "1604.1493_5.374" "975.9181_10.043" "911.5569_4.976" "815.5519_5.127" "938.7072_9.296" "1825.0408_4.242" "813.5018_5.034" "922.7373_9.267" "2962.2296_6.62" "2388.6439_3.96" "1983.097_4.98" "771.0709_4.668" "448.3409_1.038" "837.5512_3.496" "799.5486_6.277" "2424.7319_5.187" "803.0373_3.846" "998.7521_8.963" "733.5982_6.136" "525.0771_1.467" "940.8281_8.165" "170.0221_0.826" "358.1592_0.838" "1750.5034_8.972" "262.0739_1.102" "550.4954_8.525" "2009.3446_2.439" "635.5354_5.691" "258.2345_9.708" "1820.6724_9.639" "732.5406_4.916" "437.3346_1.909" "1347.8541_0.799" "671.2908_2.351" "3088.2881_5.124" "534.2086_2.318" "1519.0573_4.569" "857.5913_4.925" "2391.6841_5.132" "1442.9935_7.436" "1653.0904_4.307" "862.5046_3.961" "797.5813_5.6" "971.7233_8.665" "338.27_2.324" "813.5269_4.678" "1557.5749_5.487" "1699.1295_2.23" "768.0469_4.313" "586.365_2.202" "1505.118_5.966" "847.7673_8.756" "534.3417_3.566" "653.0913_1.811" "1989.0285_9.452" "230.094_7.517" "671.5848_6.907" "2271.7338_5.106" "1561.1419_5.17" "553.8439_1.655" "945.9066_9.561" "1511.1273_5.529" "791.5362_4.087" "960.7951_5.419" "813.507_5.695" "854.7356_8.357" "382.3596_9.427" "698.5457_7.004" "326.2967_7.517" "711.6371_7.475" "1027.8554_7.835" "676.5407_6.907" "761.652_7.37" "1181.353_5.108" "185.4615_5.091" "478.2849_3.564" "1566.143_5.152" "562.1637_0.912" "1271.1193_7.284" "813.563_5.029" "980.8592_8.509" "1181.7453_4.329" "1594.0756_4.411" "639.528_3.104" "685.549_3.088" "236.0075_0.944" "692.535_6.546" "822.6328_5.519" "899.7851_8.057" "1375.1334_6.134" "631.4286_2.089" "935.8291_9.565" "703.6261_9.43" "204.1875_7.519" "263.0469_1.588" "400.3336_2.928" "2407.6971_5.351" "325.3703_2.583" "1702.0949_4.203" "795.0693_4.693" "764.5908_5.116" "565.2915_6.755" "705.5905_6.622" "910.7795_8.74" "729.5316_4.544" "1057.997_9.931" "444.3597_4.81" "851.5515_5.147" "1616.0601_3.862" "536.5144_9.596" "269.1623_1.12" "731.6059_6.643" "1034.9062_8.593" "908.6599_8.385" "1231.3571_5.402" "912.52_3.861" "767.5801_6.423" "300.1654_0.762" "396.3347_2.564" "833.5139_4.108" "807.5773_3.732" "612.4726_5.556" "2425.7439_5.351" "1945.297_6.991" "810.0438_5.444" "917.5977_4.649" "1136.334_5.084" "781.71_4.396" "970.7809_7.858" "926.7581_8.376" "839.0452_1.869" "784.6612_6.775" "1626.1381_5.256" "423.2369_1.668" "1560.0836_5.488" "900.8734_8.729" "363.2534_5.884" "398.7616_5.115" "839.6992_7.761" "797.5609_4.55" "1575.1502_4.523" "604.5429_5.314" "957.5049_5.99" "953.487_7.482" "539.0747_3.076" "2273.7396_5.104" "397.3915_4.089" "909.8638_9.657" "868.5787_3.568" "1212.0932_7.034" "191.8434_4.53" "822.5951_5.107" "1575.8565_1.693" "748.5227_4.398" "307.2868_3.902" "1632.0887_4.3" "931.7985_8.722" "962.7074_8.908" "920.7439_7.663" "912.5202_4.239" "742.5682_5.662" "936.7964_8.729" "643.5538_6.556" "1539.0517_4.79" "1576.1622_4.759" "445.3395_1.956" "614.3352_2.326" "745.5531_5.456" "2468.729_5.381" "1727.0071_3.856" "876.5765_7.178" "1934.9041_3.853" "1041.9656_9.631" "921.8617_9.704" "183.0624_5.373" "711.58_5.741" "1618.1709_5.189" "1800.5147_8.296" "675.6522_7.326" "967.452_3.866" "720.6064_2.688" "889.5331_4.924" "291.292_4.807" "667.6475_7.348" "827.6134_4.684" "594.0552_1.856" "874.6179_3.864" "776.5531_4.658" "764.3816_4.481" "1594.0739_3.979" "2427.7564_5.358" "523.496_5.522" "1551.6233_4.48" "2426.7493_5.354" "658.6239_9.484" "870.8368_8.745" "878.5699_1.968" "3150.1813_5.693" "1686.463_8.829" "2365.6489_4.43" "335.1121_1.405" "725.6481_0.737" "187.063_0.852" "1675.4691_8.403" "835.687_7.148" "391.3051_1.929" "892.7128_7.565" "352.2581_1.59" "911.517_4.241" "812.9415_4.166" "713.5359_5.648" "799.551_4.923" "910.5609_4.677" "678.7361_7.99" "549.6212_6.52" "739.5957_3.252" "183.0659_2.024" "1609.14_6.014" "600.3259_2.04" "867.5955_6.845" "1774.1159_4.652" "3085.2835_5.122" "396.3749_9.504" "1136.3685_5.115" "822.1519_6.69" "769.5623_6.154" "1821.1216_4.678" "860.7657_8.389" "732.1205_3.128" "1151.9997_6.186" "1496.0356_7.675" "309.0319_3.132" "378.2377_2.062" "826.5308_3.58" "813.6823_7.566" "1506.1207_5.969" "630.558_9.447" "3152.2478_5.456" "618.3608_2.088" "1692.1743_4.989" "821.5699_5.127" "576.5109_8.507" "938.8116_7.798" "265.2765_5.026" "3150.2411_5.453" "1474.9756_7.647" "2391.6561_4.436" "430.3048_2.974" "696.6503_3.197" "681.6741_6.73" "525.2803_2.399" "810.5511_5.353" "978.7838_9.643" "827.6075_4.289" "718.5707_4.816" "841.655_6.776" "1691.5003_8.747" "509.5533_7.951" "728.4783_1.904" "1789.6013_9.254" "745.0537_5.042" "656.4779_6.233" "887.4973_3.853" "323.0308_1.466" "368.0346_3.135" "999.8088_6.391" "580.6268_7.262" "836.611_4.859" "3230.1137_3.86" "966.7374_9.457" "921.7831_9.362" "1610.0756_4.802" "808.6448_5.478" "1646.1127_4.193" "428.2649_0.79" "315.2768_2.137" "858.7501_8.476" "1915.8855_4.488" "2010.3475_2.439" "426.3453_2.5" "891.5335_6.488" "557.5504_7.261" "646.4399_2.453" "1784.4875_8.665" "630.5923_7.783" "569.3767_1.735" "919.7104_8.676" "698.3993_1.912" "603.53_4.967" "820.52_4.318" "3276.0842_3.86" "1587.1139_2.527" "1834.1808_2.223" "940.7226_9.485" "470.0974_2.583" "241.1673_1.024" "1793.5534_9.258" "228.1876_9.708" "667.6587_5.169" "1011.5357_5.405" "960.7358_9.031" "1549.2013_6.032" "2267.6988_5.076" "213.1725_1.069" "1006.7805_6.674" "763.5413_5.057" "1959.273_1.835" "1722.0919_4.633" "941.8171_2.299" "951.7667_8.274" "841.5228_4.899" "868.7343_7.801" "1576.2213_6.072" "1702.4901_8.419" "1851.2699_2.471" "370.3191_1.489" "286.2656_9.708" "653.3642_0.777" "899.643_6.741" "729.5116_4.768" "997.8937_8.84" "632.6082_6.39" "888.7276_6.078" "726.0296_4.246" "901.7891_8.653" "1009.8945_8.636" "442.4493_3.091" "443.3026_2.091" "396.1898_2.446" "1813.0439_3.945" "1790.5256_8.772" "1685.1384_5.399" "913.8455_9.655" "372.3344_2.862" "1569.0645_4.383" "1728.4255_8.088" "883.7571_9.159" "851.5457_3.235" "835.5678_5.742" "2437.6493_5.275" "987.6472_2.71" "1536.0751_7.458" "698.5265_7.518" "860.5571_1.874" "507.3685_2.464" "731.4309_6.982" "3836.0217_9.435" "468.3575_3.676" "868.6397_6.657" "467.3007_1.556" "305.0539_1.038" "580.0493_1.847" "963.8232_9.144" "1031.9808_9.961" "506.339_7.518" "2407.7921_6.062" "476.4843_3.563" "258.1765_1.385" "2029.3802_2.44" "823.5983_4.652" "221.0907_3.148" "2236.4138_1.699" "860.5354_4.796" "2544.741_4.985" "1865.2864_2.542" "1230.3533_5.378" "1558.1165_4.994" "1260.8724_4.981" "888.5203_3.964" "482.2937_3.174" "785.7361_5.373" "924.8118_9.696" "1194.3232_4.398" "912.8121_9.814" "468.259_1.258" "779.5447_4.837" "931.7981_9.029" "313.297_2.293" "563.6367_6.71" "834.5445_5.206" "923.4843_5.618" "1723.0033_4.305" "1794.9852_2.037" "574.4959_6.193" "1642.0989_2.204" "766.0732_4.643" "1498.0794_4.56" "964.5203_4.218" "1687.0727_5.442" "908.7642_8.114" "386.2451_7.518" "810.5392_5.131" "837.8151_9.605" "751.5802_3.106" "350.2791_2.438" "667.6104_4.613" "360.266_5.952" "581.5569_5.173" "827.6138_4.578" "948.8122_9.565" "551.4755_3.203" "485.2855_2.067" "1261.0406_6.681" "850.5213_2.095" "1878.2073_2.215" "1594.0783_3.861" "713.4988_4.004" "218.0941_7.522" "1678.8624_0.756" "606.5583_9.647" "3202.0744_5.478" "636.4727_4.859" "2360.6613_4.22" "805.5012_5.495" "1760.2061_2.566" "745.6175_5.384" "607.5169_5.539" "575.2725_2.031" "813.6041_4.931" "625.5062_6.389" "781.752_9.423" "382.3626_9.423" "3232.1223_3.859" "535.5329_6.494" "559.361_1.683" "370.3502_4.79" "775.6448_6.876" "887.4976_4.235" "939.8243_9.206" "1686.1253_2.195" "757.5982_6.026" "868.5515_6.026" "955.8461_8.97" "743.2591_0.726" "1024.9213_9.356" "873.5981_3.698" "908.7227_9.037" "293.3079_5.972" "841.533_6.005" "1791.1417_4.65" "1626.0709_4.624" "961.8457_9.366" "946.7379_9.096" "811.5104_4.572" "775.6091_6.425" "339.3128_2.69" "801.5615_6.921" "1789.5221_8.899" "1963.1167_1.904" "1168.1031_7.066" "786.0452_4.113" "3252.2633_5.265" "353.9769_0.779" "773.5558_2.962" "1579.1538_4.769" "900.7086_7.874" "863.4974_3.965" "281.2698_6.174" "368.3439_6.775" "368.3034_2.256" "542.3789_2.487" "536.9956_1.722" "833.5525_5.576" "825.5638_4.779" "176.1563_7.518" "831.5047_3.433" "1578.1399_4.541" "1562.1909_4.658" "249.072_0.917" "710.4509_6.458" "1634.5138_8.759" "600.4189_2.361" "1579.1448_5.334" "1228.3157_4.336" "293.3079_6.619" "353.2711_5.254" "849.6661_6.599" "799.6001_4.937" "728.5196_4.479" "866.7195_7.667" "857.5912_4.081" "871.0481_5.375" "861.4857_5.018" "1580.0969_4.992" "582.5004_4.997" "941.7465_7.788" "969.708_8.106" "3033.3166_5.111" "2373.7122_5.173" "190.1719_7.518" "602.527_6.683" "748.7415_7.014" "353.2711_4.77" "1017.777_7.63" "869.7404_8.163" "826.6017_4.29" "701.9659_1.793" "3190.1318_5.703" "1635.0782_4.73" "726.5398_2.363" "792.5839_5.827" "1504.7402_9.517" "671.4352_1.145" "2374.7161_5.172" "838.7385_9.421" "958.7864_8.939" "3192.1393_5.703" "979.8914_9.305" "803.076_4.685" "793.5781_4.527" "1595.1691_6.02" 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"1568.1564_5.032" "821.629_5.517" "3075.2111_4.485" "753.5673_5.801" "755.613_4.761" "655.6047_9.526" "172.0667_0.758" "1461.0411_2.564" "602.4328_7.517" "1403.1646_6.65" "1584.0881_4.549" "800.6862_8.806" "1788.5969_9.151" "682.4417_1.826" "525.4752_2.917" "816.5698_4.795" "933.7825_9.19" "575.4984_8.44" "889.7583_9.353" "155.1309_2.078" "972.7362_8.891" "881.7546_8.445" "703.5146_3.669" "2378.7585_5.375" "216.1836_0.962" "421.7537_4.175" "1817.6426_9.458" "910.8163_9.295" "883.7622_8.054" "837.5252_5.543" "893.8313_9.557" "182.0706_0.88" "783.0635_5.137" "1031.8866_8.287" "345.2256_0.731" "1635.107_4.416" "976.8272_8.88" "457.4238_2.401" "367.381_4.09" "816.5294_1.878" "1634.0758_4.728" "808.645_5.344" "398.2451_7.517" "1580.1002_4.352" "631.4311_2.461" "916.6729_8.046" "922.7955_9.551" "737.7368_6.721" "886.712_5.373" "986.9052_9.628" "766.5961_5.566" "296.3673_2.312" "775.5508_4.659" "534.3703_7.517" "644.4797_7.517" "796.5488_4.516" "1717.5312_9.493" "921.5458_4.241" "3149.2283_4.339" "905.7811_8.965" "2380.7656_5.376" "1590.1379_5.025" "815.5453_4.531" "577.5141_8.807" "952.8278_9.358" "818.6001_4.667" "654.6263_3.91" "230.1262_0.824" "916.691_8.104" "389.2692_5.929" "790.5681_4.892" "885.8137_9.504" "1661.155_5.386" "1549.0931_2.525" "1617.1659_5.171" "906.8328_9.17" "837.7041_7" "3176.2438_4.37" "980.5147_0.774" "637.6117_7.048" "471.3342_1.662" "476.3721_1.046" "904.8182_8.814" "1047.7779_2.808" "1681.1713_2.48" "781.0542_4.441" "477.3239_2.353" "814.702_9.029" "793.5517_4.55" "340.2973_6.682" "773.5351_5.18" "1640.1516_5.335" "909.489_0.776" "835.6506_6.843" "1754.4411_8.118" "899.5615_5.311" "246.1254_2.107" "599.475_3.02" "186.1365_0.855" "1887.0984_5.402" "188.7579_4.479" "860.6972_5.114" "815.6303_6.031" "912.753_9.123" "721.5039_4.456" "1609.1036_4.298" "905.7509_9.119" "1649.3763_8.031" "841.5683_4.665" "383.2665_0.946" "1689.1621_5.297" "756.0451_5.038" "823.5461_6.487" "821.0813_5.398" "986.9058_9.775" "859.4702_4.815" "583.5537_5.732" "1511.0899_4.219" "807.7674_9.4" "851.5619_6.014" "832.6428_6.115" "575.4678_6.188" "355.3446_2.679" "548.153_1.461" "1441.9976_7.629" "553.4186_2.197" "798.5957_5.125" "908.7931_8.281" "630.5672_6.218" "781.0469_4.51" "763.0923_4.668" "1645.0884_5.379" "1634.0647_1.878" "3247.2363_4.162" "563.5275_6.358" "513.324_1.755" "933.9444_10.775" "1557.101_5.109" "793.4988_5.022" "719.6031_2.689" "1707.4438_8.391" "1593.1191_2.51" "775.5713_6.273" "1542.1101_4.773" "949.7875_8.034" "1433.2114_6.985" "428.4335_2.636" "1582.0747_4.262" "910.5534_4.978" "173.1036_2.577" "833.5409_5.297" "1544.1449_5.128" "1618.1699_5.347" "221.0906_1.984" "1497.0746_4.56" "1471.0326_7.839" "1764.5175_9.158" "908.7691_9.291" "409.1467_0.837" "937.8449_9.517" "485.455_2.744" "1158.9943_6.654" "1590.1019_4.529" "1518.9533_7.355" "943.5492_5.4" "2105.3394_1.715" "973.8084_7.98" "327.2798_2.637" "1532.0983_4.757" "1505.0671_2.545" "1659.5257_8.748" "817.5591_6.111" "369.3237_2.881" "912.7959_8.888" "550.4953_9.505" "861.8048_9.385" "187.063_0.78" "827.6475_3.086" "929.7519_8.962" "522.4641_8.401" "872.6863_8.117" "976.7484_8.3" "2343.665_4.527" "806.563_5.515" "2987.8758_7.471" "160.5371_0.768" "1682.1027_4.226" "685.6342_7.509" "703.5507_5.052" "602.5266_4.965" "1518.0242_4.759" "1649.1341_4.932" "897.5449_4.422" "1180.7421_4.337" "798.599_6.057" "3026.319_5.1" "457.4238_2.543" "740.5926_7.386" "1494.0292_7.675" "365.2706_2.303" "579.5587_6.543" "604.5429_5.588" "357.2507_0.879" "173.1413_1.672" "363.253_5.027" "3024.3127_5.101" "754.5968_5.445" "339.0704_0.848" "2985.8689_7.472" "755.5834_5.169" "810.6495_6.698" "272.1366_0.817" "794.5638_4.917" "634.5318_5.687" "1637.1454_2.495" "579.3798_1.878" "1737.5696_9.245" "814.6178_5.678" "887.5022_5.73" "1784.4875_8.43" "682.6213_2.668" "341.2924_2.497" "1573.0972_4.401" "1011.9184_9.622" "818.5665_5.047" "258.1211_0.823" "948.735_9.299" "814.6555_5.936" "780.091_4.665" "563.6002_7.613" "837.8144_9.764" "976.8272_8.286" "845.6348_6.145" "577.6523_6.903" "902.6457_6.654" "941.7464_7.621" "565.0392_1.854" "1033.9028_8.605" "262.2291_8.826" "1574.1446_4.532" "871.5475_4.981" "539.4545_3.095" "986.9054_9.244" "810.677_6.742" "1771.5697_9.472" "1003.8556_8.158" "342.3239_1.86" "263.2611_6.169" "792.57_4.965" "1512.1221_5.078" "980.8592_8.94" "152.1199_2.308" "1543.1423_5.116" "841.7162_7.47" "1523.0905_4.572" "3210.1474_5.273" "570.3451_2.611" Warning: The "mz" column at position 3 in the METABOLITES table, matches a standard column name, "moverz_quant". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "neutral_mass" column at position 4 in the METABOLITES table, matches a standard column name, "mass". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "formula" column at position 2 in the METABOLITES table, matches a standard column name, "formula", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 0 C51 H92 D7 N O6 2 C39 H67 D7 N O10 P 3 C42 H75 D7 N O13 P 5 C38 H67 D7 N O8 P 6 C23 H39 D7 N O7 P 7 C41 H73 D7 N O8 P 8 C26 H45 D7 N O7 P 13 C59 H95 N O4 14 C63 H117 N O6 15 C63 H119 N O6 16 C63 H105 N O6 17 C61 H103 N O6 18 C61 H103 N O6 19 C61 H105 N O6 20 C61 H105 N O6 21 C61 H105 N O6 22 C61 H105 N O6 23 C61 H107 N O6 24 C61 H107 N O6 25 C61 H109 N O6 26 C61 H109 N O6 27 C61 H109 N O6 28 C61 H109 N O6 29 C61 H109 N O6 30 C61 H111 N O6 31 C61 H111 N O6 32 C61 H111 N O6 33 C61 H113 N O6 34 C61 H113 N O6 35 C61 H115 N O6 36 C61 H117 N O6 37 C61 H117 N O6 38 C61 H101 N O6 39 C61 H101 N O6 40 C61 H119 N O6 41 C60 H113 N O6 42 C59 H101 N O6 43 C59 H101 N O6 44 C59 H103 N O6 45 C59 H103 N O6 46 C59 H103 N O6 47 C59 H103 N O6 48 C59 H105 N O6 49 C59 H105 N O6 50 C59 H105 N O6 51 C59 H107 N O6 52 C59 H107 N O6 53 C59 H107 N O6 54 C59 H109 N O6 55 C59 H109 N O6 56 C59 H109 N O6 57 C59 H109 N O6 58 C59 H109 N O6 59 C59 H111 N O6 60 C59 H111 N O6 61 C59 H111 N O6 62 C59 H113 N O6 63 C59 H113 N O6 64 C59 H115 N O6 65 C59 H115 N O6 66 C58 H103 N O6 67 C58 H105 N O6 68 C58 H105 N O6 69 C58 H107 N O6 70 C58 H109 N O6 71 C58 H111 N O6 72 C58 H111 N O6 73 C57 H97 N O6 75 C57 H101 N O6 76 C57 H101 N O6 77 C57 H101 N O6 78 C57 H101 N O6 80 C57 H103 N O6 81 C57 H103 N O6 82 C57 H105 N O6 83 C57 H105 N O6 84 C57 H105 N O6 85 C57 H105 N O6 86 C57 H107 N O6 89 C57 H109 N O6 90 C57 H109 N O6 91 C57 H111 N O6 92 C56 H99 N O6 93 C56 H101 N O6 94 C56 H101 N O6 95 C56 H103 N O6 96 C56 H105 N O6 97 C56 H105 N O6 98 C56 H105 N O6 99 C56 H107 N O6 100 C56 H109 N O6 101 C55 H95 N O6 102 C55 H97 N O6 103 C55 H99 N O6 104 C55 H99 N O6 105 C55 H101 N O6 106 C55 H103 N O6 107 C55 H103 N O6 110 C55 H107 N O6 111 C55 H107 N O6 112 C55 H109 N O6 113 C55 H109 N O6 114 C54 H99 N O6 115 C54 H101 N O6 116 C54 H103 N O6 117 C54 H105 N O6 118 C54 H105 N O6 119 C54 H107 N O6 120 C53 H95 N O6 121 C53 H97 N O6 123 C53 H101 N O6 124 C53 H101 N O6 126 C53 H105 N O6 127 C52 H97 N O6 128 C52 H99 N O6 129 C52 H99 N O6 130 C52 H99 N O6 131 C52 H101 N O6 132 C52 H103 N O6 133 C51 H93 N O6 134 C51 H95 N O6 135 C51 H97 N O6 136 C51 H97 N O6 137 C51 H99 N O6 138 C51 H99 N O6 139 C51 H101 N O6 140 C49 H91 N O6 141 C49 H93 N O6 142 C49 H95 N O6 143 C49 H97 N O6 144 C47 H89 N O6 145 C47 H91 N O6 146 C45 H87 N O6 147 C43 H77 N O6 148 C43 H79 N O6 149 C43 H81 N O6 150 C43 H83 N O6 151 C43 H83 N O6 152 C41 H79 N O6 153 C39 H73 N O6 154 C39 H75 N O6 155 C39 H77 N O6 156 C8 H20 N O6 P 178 C46 H78 N O10 P 179 C46 H78 N O10 P 180 C46 H80 N O10 P 181 C46 H82 N O10 P 182 C44 H78 N O10 P 183 C44 H80 N O10 P 184 C42 H78 N O10 P 185 C42 H78 N O10 P 187 C49 H88 N O13 P 193 C45 H76 N O7 P 194 C45 H78 N O7 P 195 C45 H78 N O7 P 196 C45 H78 N O7 P 197 C45 H80 N O7 P 198 C45 H80 N O7 P 199 C45 H82 N O7 P 200 C45 H82 N O7 P 201 C43 H74 N O7 P 202 C43 H76 N O7 P 203 C43 H76 N O7 P 204 C43 H78 N O7 P 205 C43 H78 N O7 P 206 C43 H78 N O7 P 207 C43 H82 N O7 P 208 C43 H84 N O7 P 209 C42 H76 N O7 P 210 C42 H76 N O7 P 211 C41 H74 N O7 P 212 C41 H74 N O7 P 213 C41 H78 N O7 P 214 C41 H78 N O7 P 215 C41 H76 N O7 P 216 C41 H80 N O7 P 217 C39 H76 N O7 P 218 C39 H78 N O7 P 219 C39 H78 N O7 P 220 C37 H74 N O7 P 221 C47 H78 N O8 P 222 C47 H74 N O8 P 223 C45 H74 N O8 P 224 C45 H76 N O8 P 225 C45 H76 N O8 P 227 C45 H78 N O8 P 228 C45 H80 N O8 P 229 C45 H80 N O8 P 230 C45 H82 N O8 P 231 C45 H82 N O8 P 232 C43 H74 N O8 P 233 C43 H74 N O8 P 234 C43 H76 N O8 P 235 C43 H76 N O8 P 236 C43 H76 N O8 P 237 C43 H76 N O8 P 238 C43 H76 N O8 P 239 C43 H78 N O8 P 240 C43 H78 N O8 P 241 C43 H78 N O8 P 242 C43 H80 N O8 P 243 C43 H80 N O8 P 244 C41 H72 N O8 P 245 C41 H72 N O8 P 246 C41 H74 N O8 P 247 C41 H74 N O8 P 248 C41 H76 N O8 P 249 C41 H78 N O8 P 250 C41 H78 N O8 P 251 C41 H80 N O8 P 252 C39 H74 N O8 P 253 C39 H76 N O8 P 254 C48 H84 N O7 P 255 C48 H84 N O7 P 256 C48 H84 N O7 P 257 C48 H86 N O7 P 258 C46 H80 N O7 P 259 C46 H80 N O7 P 260 C46 H80 N O7 P 261 C46 H82 N O7 P 262 C46 H82 N O7 P 263 C46 H86 N O7 P 264 C46 H86 N O7 P 265 C46 H86 N O7 P 266 C45 H82 N O7 P 267 C44 H80 N O7 P 268 C44 H80 N O7 P 269 C44 H82 N O7 P 270 C44 H82 N O7 P 271 C44 H84 N O7 P 272 C44 H86 N O7 P 273 C44 H86 N O7 P 274 C44 H88 N O7 P 275 C42 H82 N O7 P 276 C42 H82 N O7 P 277 C42 H84 N O7 P 278 C42 H84 N O7 P 279 C42 H86 N O7 P 280 C40 H80 N O7 P 281 C40 H80 N O7 P 282 C40 H82 N O7 P 283 C38 H78 N O7 P 284 C52 H80 N O8 P 285 C52 H84 N O8 P 286 C50 H82 N O8 P 287 C50 H82 N O8 P 288 C50 H84 N O8 P 289 C50 H84 N O8 P 290 C50 H86 N O8 P 291 C50 H86 N O8 P 292 C50 H88 N O8 P 293 C50 H88 N O8 P 294 C50 H98 N O8 P 295 C49 H84 N O8 P 296 C49 H86 N O8 P 297 C50 H80 N O8 P 298 C48 H80 N O8 P 299 C48 H82 N O8 P 300 C48 H82 N O8 P 301 C48 H84 N O8 P 302 C48 H84 N O8 P 303 C48 H86 N O8 P 304 C48 H86 N O8 P 305 C48 H86 N O8 P 306 C48 H88 N O8 P 307 C48 H88 N O8 P 308 C48 H88 N O8 P 309 C48 H94 N O8 P 310 C47 H82 N O8 P 311 C47 H82 N O8 P 312 C47 H84 N O8 P 313 C47 H84 N O8 P 314 C47 H84 N O8 P 315 C47 H84 N O8 P 316 C47 H84 N O8 P 317 C47 H86 N O8 P 318 C47 H86 N O8 P 319 C47 H86 N O8 P 320 C46 H78 N O8 P 321 C46 H78 N O8 P 322 C46 H80 N O8 P 323 C46 H80 N O8 P 324 C46 H80 N O8 P 325 C46 H82 N O8 P 326 C46 H82 N O8 P 327 C46 H84 N O8 P 328 C46 H86 N O8 P 329 C46 H88 N O8 P 330 C46 H88 N O8 P 331 C46 H90 N O8 P 332 C45 H78 N O8 P 333 C45 H78 N O8 P 334 C45 H78 N O8 P 335 C45 H80 N O8 P 336 C45 H80 N O8 P 337 C45 H80 N O8 P 338 C45 H82 N O8 P 339 C45 H82 N O8 P 340 C45 H84 N O8 P 341 C45 H86 N O8 P 342 C45 H86 N O8 P 343 C45 H88 N O8 P 344 C45 H90 N O8 P 345 C45 H90 N O8 P 346 C44 H76 N O8 P 347 C44 H78 N O8 P 348 C44 H78 N O8 P 349 C44 H78 N O8 P 350 C44 H80 N O8 P 351 C44 H80 N O8 P 352 C44 H82 N O8 P 353 C44 H84 N O8 P 354 C44 H86 N O8 P 355 C44 H88 N O8 P 356 C43 H78 N O8 P 357 C43 H80 N O8 P 358 C43 H80 N O8 P 359 C43 H82 N O8 P 360 C43 H82 N O8 P 361 C43 H84 N O8 P 362 C42 H76 N O8 P 363 C42 H78 N O8 P 364 C42 H78 N O8 P 365 C42 H80 N O8 P 366 C42 H82 N O8 P 367 C42 H84 N O8 P 368 C42 H84 N O8 P 369 C41 H80 N O8 P 370 C41 H82 N O8 P 371 C40 H76 N O8 P 372 C40 H76 N O8 P 373 C40 H78 N O8 P 374 C40 H78 N O8 P 375 C40 H80 N O8 P 376 C39 H76 N O8 P 377 C39 H76 N O8 P 378 C39 H78 N O8 P 379 C39 H78 N O8 P 380 C38 H76 N O8 P 381 C23 H46 N O6 P 382 C23 H48 N O7 P 383 C30 H50 N O7 P 384 C28 H50 N O7 P 385 C28 H56 N O7 P 386 C28 H58 N O7 P 387 C27 H56 N O7 P 388 C27 H56 N O7 P 389 C26 H50 N O7 P 390 C26 H52 N O7 P 391 C26 H54 N O7 P 392 C25 H52 N O7 P 393 C24 H50 N O7 P 394 C49 H95 N O9 395 C48 H91 N O9 396 C48 H93 N O9 397 C48 H93 N O8 398 C47 H91 N O9 400 C24 H49 N O2 401 C20 H41 N O2 402 C19 H39 N O2 403 C17 H35 N O2 404 C43 H73 N O5 407 C41 H73 N O5 408 C41 H75 N O5 411 C39 H73 N O5 412 C39 H75 N O5 413 C39 H77 N O5 414 C37 H71 N O5 416 C37 H75 N O5 417 C35 H71 N O5 421 C43 H85 N O3 422 C42 H79 N O3 423 C42 H81 N O3 424 C42 H83 N O3 425 C41 H81 N O3 426 C40 H79 N O3 427 C36 H71 N O3 428 C34 H67 N O3 429 C7 H15 N O3 430 C11 H21 N O5 431 C11 H21 N O4 432 C10 H19 N O4 433 C27 H45 N O4 434 C9 H17 N O4 435 C25 H45 N O4 436 C25 H47 N O4 437 C25 H49 N O4 438 C23 H45 N O4 439 C21 H41 N O4 Warning: The "refmet_name" column at position 5 in the METABOLITES table, matches a standard column name, "name". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "rt" column at position 6 in the METABOLITES table, matches a standard column name, "retention_time". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "formula" column at position 2 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different. Warning: The "refmet_name" column at position 5 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.