TheorMass ObsdMass MassError(ppm) Position Overhang PeakArea 780.66 no match no match 1 3'-OH 0 1086.83 no match no match 2 3'-OH 0 1432.04 no match no match 3 3'-OH 0 1777.25 no match no match 4 3'-OH 0 2083.42 no match no match 5 3'-OH 0 2388.6 no match no match 6 3'-OH 0 2694.77 no match no match 7 3'-OH 0 3039.98 no match no match 8 3'-OH 0 3385.19 no match no match 9 3'-OH 0 3730.4 no match no match 10 3'-OH 0 4035.58 no match no match 11 3'-OH 0 4380.79 no match no match 12 3'-OH 0 4685.97 no match no match 13 3'-OH 0 5015.18 no match no match 14 3'-OH 0 5360.39 no match no match 15 3'-OH 0 5665.58 no match no match 16 3'-OH 0 6010.79 no match no match 17 3'-OH 0 6315.97 no match no match 18 3'-OH 0 6645.18 no match no match 19 3'-OH 0 6974.39 no match no match 20 3'-OH 0 7319.6 no match no match 21 3'-OH 0 7624.78 no match no match 22 3'-OH 0 7930.95 no match no match 23 3'-OH 0 8276.16 no match no match 24 3'-OH 0 8605.37 no match no match 25 3'-OH 0 8910.55 no match no match 26 3'-OH 0 9255.76 no match no match 27 3'-OH 0 9600.97 no match no match 28 3'-OH 0 9907.14 no match no match 29 3'-OH 0 10236.35 no match no match 30 3'-OH 0 10541.53 no match no match 31 3'-OH 0 10870.74 no match no match 32 3'-OH 0 11215.95 no match no match 33 3'-OH 0 11561.16 no match no match 34 3'-OH 0 11866.34 no match no match 35 3'-OH 0 12171.52 12171.55818 3.13683089700846 36 3'-OH 1948.371456 842.62 no match no match 1 "2,3-cyclic phosphate" 0 1148.79 1148.676728 -98.6011368483811 2 "2,3-cyclic phosphate" -19.9849813 1494 1494.177343 118.703480589066 3 "2,3-cyclic phosphate" 86.96068556 1839.21 1839.13182 -42.5073808863451 4 "2,3-cyclic phosphate" 71.38448349 2145.38 2145.700106 149.207133468042 5 "2,3-cyclic phosphate" -161.9090032 2450.56 2450.833115 111.450035910144 6 "2,3-cyclic phosphate" -1222.599179 2756.73 no match no match 7 "2,3-cyclic phosphate" 0 3101.94 3102.406808 150.489048788864 8 "2,3-cyclic phosphate" 2015.349322 3447.15 3447.535372 111.794380865275 9 "2,3-cyclic phosphate" 546.5299809 3792.36 3792.399381 10.3842989589724 10 "2,3-cyclic phosphate" 107.4578944 4097.54 4097.845766 74.6218462785973 11 "2,3-cyclic phosphate" 119.5056344 4442.75 no match no match 12 "2,3-cyclic phosphate" 0 4747.93 4748.310105 80.056993257962 13 "2,3-cyclic phosphate" 459.2131279 5077.14 no match no match 14 "2,3-cyclic phosphate" 0 5422.35 no match no match 15 "2,3-cyclic phosphate" 0 5727.54 no match no match 16 "2,3-cyclic phosphate" 0 6072.75 no match no match 17 "2,3-cyclic phosphate" 0 6377.93 no match no match 18 "2,3-cyclic phosphate" 0 6707.14 no match no match 19 "2,3-cyclic phosphate" 0 7036.35 no match no match 20 "2,3-cyclic phosphate" 0 7381.56 no match no match 21 "2,3-cyclic phosphate" 0 7686.74 no match no match 22 "2,3-cyclic phosphate" 0 7992.91 no match no match 23 "2,3-cyclic phosphate" 0 8338.12 no match no match 24 "2,3-cyclic phosphate" 0 8667.33 no match no match 25 "2,3-cyclic phosphate" 0 8972.51 no match no match 26 "2,3-cyclic phosphate" 0 9317.72 no match no match 27 "2,3-cyclic phosphate" 0 9662.93 no match no match 28 "2,3-cyclic phosphate" 0 9969.1 no match no match 29 "2,3-cyclic phosphate" 0 10298.31 no match no match 30 "2,3-cyclic phosphate" 0 10603.49 no match no match 31 "2,3-cyclic phosphate" 0 10932.7 no match no match 32 "2,3-cyclic phosphate" 0 11277.91 no match no match 33 "2,3-cyclic phosphate" 0 11623.12 no match no match 34 "2,3-cyclic phosphate" 0 11928.3 no match no match 35 "2,3-cyclic phosphate" 0 NA no match no match 36 "2,3-cyclic phosphate" 0 860.64 no match no match 1 3'-phosphate 0 1166.81 no match no match 2 3'-phosphate 0 1512.02 no match no match 3 3'-phosphate 0 1857.23 1857.221253 -4.70970208325565 4 3'-phosphate 691.5150369 2163.4 2163.515727 53.4931126929273 5 3'-phosphate 9132.265028 2468.58 2468.739643 64.6699722107284 6 3'-phosphate 15694.70981 2774.75 2774.987205 85.4869808090471 7 3'-phosphate 22471.69868 3119.96 3120.203586 78.0734368389499 8 3'-phosphate 15805.23257 3465.17 3465.353903 53.071855060531 9 3'-phosphate 3946.3796 3810.38 3810.794395 108.754244983384 10 3'-phosphate 429.0367276 4115.56 4116.120122 136.098611124577 11 3'-phosphate 237.7550917 4460.77 4460.625181 -32.4650228548205 12 3'-phosphate 126.0200837 4765.95 4766.488901 113.073154355353 13 3'-phosphate 208.2846982 5095.16 5095.167286 1.42998453434669 14 3'-phosphate 70.74809863 5440.37 5440.752039 70.2229811575457 15 3'-phosphate 70.71147749 5745.56 5746.194232 110.386454932057 16 3'-phosphate 79.74872857 6090.77 no match no match 17 3'-phosphate 0 6395.95 no match no match 18 3'-phosphate 0 6725.16 no match no match 19 3'-phosphate 0 7054.37 no match no match 20 3'-phosphate 0 7399.58 no match no match 21 3'-phosphate 0 7704.76 no match no match 22 3'-phosphate 0 8010.93 no match no match 23 3'-phosphate 0 8356.14 no match no match 24 3'-phosphate 0 8685.35 no match no match 25 3'-phosphate 0 8990.53 no match no match 26 3'-phosphate 0 9335.74 no match no match 27 3'-phosphate 0 9680.95 no match no match 28 3'-phosphate 0 9987.12 no match no match 29 3'-phosphate 0 10316.33 no match no match 30 3'-phosphate 0 10621.51 no match no match 31 3'-phosphate 0 10950.72 no match no match 32 3'-phosphate 0 11295.93 no match no match 33 3'-phosphate 0 11641.14 no match no match 34 3'-phosphate 0 11946.32 no match no match 35 3'-phosphate 0 NA no match no match 36 3'-phosphate 0 918.68 no match no match 1 3'-phosphoglycolate 0 1224.85 no match no match 2 3'-phosphoglycolate 0 1570.06 no match no match 3 3'-phosphoglycolate 0 1915.27 1915.324956 28.6936045570324 4 3'-phosphoglycolate 1536.114549 2221.44 2221.603802 73.7368553731059 5 3'-phosphoglycolate 17404.45802 2526.62 2526.845626 89.2995385138724 6 3'-phosphoglycolate 37150.11861 2832.79 2833.014314 79.1848319148435 7 3'-phosphoglycolate 24951.63066 3178 3178.23388 73.5934550032179 8 3'-phosphoglycolate 16011.80409 3523.21 3523.452255 68.7597389880574 9 3'-phosphoglycolate 3075.000656 3868.42 3868.78875 95.3231551899977 10 3'-phosphoglycolate 849.2317142 4173.6 no match no match 11 3'-phosphoglycolate 0 4518.81 4519.042088 51.3604245364927 12 3'-phosphoglycolate 192.569598 4823.99 4823.818951 -35.4579922428497 13 3'-phosphoglycolate 123.0122804 5153.2 no match no match 14 3'-phosphoglycolate 0 5498.41 5498.711065 54.7549200588102 15 3'-phosphoglycolate 103.2110446 5803.6 no match no match 16 3'-phosphoglycolate 0 6148.81 no match no match 17 3'-phosphoglycolate 0 6453.99 no match no match 18 3'-phosphoglycolate 0 6783.2 no match no match 19 3'-phosphoglycolate 0 7112.41 7112.169407 -33.8272118732659 20 3'-phosphoglycolate 88.79963368 7457.62 no match no match 21 3'-phosphoglycolate 0 7762.8 no match no match 22 3'-phosphoglycolate 0 8068.97 no match no match 23 3'-phosphoglycolate 0 8414.18 no match no match 24 3'-phosphoglycolate 0 8743.39 no match no match 25 3'-phosphoglycolate 0 9048.57 no match no match 26 3'-phosphoglycolate 0 9393.78 no match no match 27 3'-phosphoglycolate 0 9738.99 no match no match 28 3'-phosphoglycolate 0 10045.16 no match no match 29 3'-phosphoglycolate 0 10374.37 no match no match 30 3'-phosphoglycolate 0 10679.55 no match no match 31 3'-phosphoglycolate 0 11008.76 no match no match 32 3'-phosphoglycolate 0 11353.97 no match no match 33 3'-phosphoglycolate 0 11699.18 no match no match 34 3'-phosphoglycolate 0 12004.36 no match no match 35 3'-phosphoglycolate 0 NA no match no match 36 3'-phosphoglycolate 0 NA no match no match 1 5'-OH 0 11327.86 no match no match 2 5'-OH 0 11021.7 no match no match 3 5'-OH 0 10676.49 no match no match 4 5'-OH 0 10331.28 no match no match 5 5'-OH 0 10025.11 no match no match 6 5'-OH 0 9719.93 no match no match 7 5'-OH 0 9413.76 no match no match 8 5'-OH 0 9068.55 no match no match 9 5'-OH 0 8723.34 no match no match 10 5'-OH 0 8378.13 no match no match 11 5'-OH 0 8072.95 no match no match 12 5'-OH 0 7727.74 no match no match 13 5'-OH 0 7422.56 7421.974566 -78.8722489276654 14 5'-OH 78.30586776 7093.35 no match no match 15 5'-OH 0 6748.14 no match no match 16 5'-OH 0 6442.96 no match no match 17 5'-OH 0 6097.75 no match no match 18 5'-OH 0 5792.57 5792.207389 -62.5993298310699 19 5'-OH 567.2532745 5463.36 5462.385422 -178.384364200672 20 5'-OH 133.4589669 5134.15 5133.380899 -149.801038146502 21 5'-OH 148.517815 4788.94 4788.004116 -195.426127702484 22 5'-OH 381.1841812 4483.76 4483.037567 -161.122138562258 23 5'-OH 483.8956656 4177.59 no match no match 24 5'-OH 0 3832.38 3831.838834 -141.208857159252 25 5'-OH 1100.619085 3503.17 3502.734975 -124.180385194045 26 5'-OH 914.7354935 3197.99 3197.677233 -97.8011188277306 27 5'-OH 6642.141128 2852.78 2852.715205 -22.7129326482347 28 5'-OH 3244.762079 2507.57 no match no match 29 5'-OH 0 2201.4 2201.024257 -170.683655855391 30 5'-OH 1964.902418 1872.19 no match no match 31 5'-OH 0 1567.01 no match no match 32 5'-OH 0 1237.8 no match no match 33 5'-OH 0 892.59 no match no match 34 5'-OH 0 547.38 no match no match 35 5'-OH 0 242.2 no match no match 36 5'-OH 0 NA no match no match 1 5'-phosphate 0 11407.84 no match no match 2 5'-phosphate 0 11101.68 no match no match 3 5'-phosphate 0 10756.47 no match no match 4 5'-phosphate 0 10411.26 no match no match 5 5'-phosphate 0 10105.09 no match no match 6 5'-phosphate 0 9799.91 no match no match 7 5'-phosphate 0 9493.74 no match no match 8 5'-phosphate 0 9148.53 no match no match 9 5'-phosphate 0 8803.32 no match no match 10 5'-phosphate 0 8458.11 no match no match 11 5'-phosphate 0 8152.93 no match no match 12 5'-phosphate 0 7807.72 no match no match 13 5'-phosphate 0 7502.54 no match no match 14 5'-phosphate 0 7173.33 no match no match 15 5'-phosphate 0 6828.12 no match no match 16 5'-phosphate 0 6522.94 6523.053447 17.3920042190535 17 5'-phosphate 89.52517336 6177.73 6177.340573 -63.0372321223426 18 5'-phosphate 112.999793 5872.55 no match no match 19 5'-phosphate 0 5543.34 5542.905083 -78.4575725105254 20 5'-phosphate 157.6384834 5214.13 5213.717271 -79.1558706821027 21 5'-phosphate 808.7536572 4868.92 4868.550131 -75.9653064745586 22 5'-phosphate 6036.56855 4563.74 4563.388356 -77.051716355313 23 5'-phosphate 8501.901754 4257.57 4257.220846 -82.0078119677525 24 5'-phosphate 3625.111927 3912.36 3912.08979 -69.0657301475666 25 5'-phosphate 5413.856879 3583.15 3582.747586 -112.30732735167 26 5'-phosphate 2047.538426 3277.97 3277.532532 -133.456987098609 27 5'-phosphate 1484.279898 2932.76 2932.38258 -128.691062344091 28 5'-phosphate 3837.8812 2587.55 2587.712148 62.6646828080185 29 5'-phosphate 3021.656977 2281.38 no match no match 30 5'-phosphate 0 1952.17 1952.263488 47.8892719383964 31 5'-phosphate 152.0288931 1646.99 1647.140761 91.5372892367909 32 5'-phosphate 43.8794809 1317.78 no match no match 33 5'-phosphate 0 972.57 no match no match 34 5'-phosphate 0 627.36 no match no match 35 5'-phosphate 0 322.18 no match no match 36 5'-phosphate 0 unknown 1000.192991 unknown unknown unknown 90.71652509 unknown 1024.669562 unknown unknown unknown -29.69258835 unknown 1039.43436 unknown unknown unknown 24.14009998 unknown 1053.934414 unknown unknown unknown 34.13122436 unknown 1069.882167 unknown unknown unknown 489.3513209 unknown 1086.250217 unknown unknown unknown 3813.317469 unknown 1101.659453 unknown unknown unknown 120.7820136 unknown 1108.904736 unknown unknown unknown 93.921094 unknown 1124.00714 unknown unknown unknown 71.55375436 unknown 1133.790497 unknown unknown unknown 26.65421214 unknown 1136.358489 unknown unknown unknown 23.63199722 unknown 1165.854354 unknown unknown unknown -6.297289878 unknown 1179.838319 unknown unknown unknown 79.04650475 unknown 1233.510332 unknown unknown unknown 37.27961491 unknown 1247.174724 unknown unknown unknown 196.6719913 unknown 1263.14571 unknown unknown unknown 583.931974 unknown 1317.359707 unknown unknown unknown 21.640908 unknown 1355.560024 unknown unknown unknown 20.71653472 unknown 1370.493209 unknown unknown unknown 32.27658793 unknown 1386.483356 unknown unknown unknown 164.6063434 unknown 1402.587372 unknown unknown unknown 1547.447956 unknown 1416.490318 unknown unknown unknown 70.02387475 unknown 1424.723702 unknown unknown unknown 35.78683123 unknown 1440.612758 unknown unknown unknown 30.77960854 unknown 1511.685729 unknown unknown unknown 29.50911445 unknown 1566.610509 unknown unknown unknown 465.2994219 unknown 1579.493361 unknown unknown unknown 180.759015 unknown 1606.340372 unknown unknown unknown 36.17600065 unknown 1623.034516 unknown unknown unknown 20.46627907 unknown 1718.726167 unknown unknown unknown 348.709257 unknown 1758.887165 unknown unknown unknown 43.82186144 unknown 1871.590065 unknown unknown unknown 9.446150706 unknown 1929.932864 unknown unknown unknown 28.28051184 unknown 1968.584025 unknown unknown unknown 31.23915989 unknown 1971.961522 unknown unknown unknown 63.54064087 unknown 1982.187724 unknown unknown unknown 40.7167382 unknown 1987.429082 unknown unknown unknown 44.74467949 unknown 1991.243496 unknown unknown unknown 37.79707248 unknown 1996.593954 unknown unknown unknown 45.41801614 unknown 2001.890852 unknown unknown unknown 39.31007596 unknown 2009.386902 unknown unknown unknown 76.91657201 unknown 2014.916877 unknown unknown unknown 30.43567252 unknown 2023.275601 unknown unknown unknown 51.07662072 unknown 2029.681143 unknown unknown unknown 125.7186618 unknown 2178.179229 unknown unknown unknown -327.6889295 unknown 2236.672981 unknown unknown unknown 137.0835501 unknown 2243.180393 unknown unknown unknown 316.1129164 unknown 2258.80587 unknown unknown unknown 29.97590942 unknown 2280.676299 unknown unknown unknown 440.2159526 unknown 2298.186916 unknown unknown unknown 162.9054286 unknown 2304.742186 unknown unknown unknown 68.60534076 unknown 2317.095466 unknown unknown unknown 377.2914437 unknown 2338.354426 unknown unknown unknown 538.4354975 unknown 2350.856313 unknown unknown unknown 388.5381762 unknown 2370.760453 unknown unknown unknown 87.17885192 unknown 2541.373176 unknown unknown unknown -1310.584964 unknown 2548.483483 unknown unknown unknown -1208.945264 unknown 2563.630388 unknown unknown unknown -881.7895271 unknown 2577.408212 unknown unknown unknown 8608.637868 unknown 2607.955333 unknown unknown unknown 6106.949511 unknown 2617.309656 unknown unknown unknown 43048.49137 unknown 2629.127298 unknown unknown unknown 15558.24052 unknown 2644.314014 unknown unknown unknown 8976.873126 unknown 2688.374481 unknown unknown unknown 360.3229347 unknown 2699.338356 unknown unknown unknown 20.59771314 unknown 2707.67266 unknown unknown unknown 22.09327158 unknown 2757.444581 unknown unknown unknown 1431.897555 unknown 2789.557577 unknown unknown unknown 1268.96941 unknown 2799.509302 unknown unknown unknown 3613.605499 unknown 2811.455219 unknown unknown unknown -1279.634672 unknown 2870.23302 unknown unknown unknown -1740.207511 unknown 2890.813359 unknown unknown unknown 1899.615445 unknown 2904.812734 unknown unknown unknown -31.57459118 unknown 2912.761248 unknown unknown unknown -597.3951429 unknown 3022.372448 unknown unknown unknown -232.5892545 unknown 3041.993977 unknown unknown unknown 200.3018082 unknown 3054.290182 unknown unknown unknown 400.4101123 unknown 3065.954174 unknown unknown unknown 468.9866774 unknown 3078.020315 unknown unknown unknown 944.2477428 unknown 3135.107258 unknown unknown unknown 1523.958415 unknown 3158.122425 unknown unknown unknown -143.3220603 unknown 3214.252631 unknown unknown unknown 984.7318833 unknown 3293.678138 unknown unknown unknown -327.1025332 unknown 3369.147336 unknown unknown unknown 213.6951354 unknown 3377.517692 unknown unknown unknown 86.68170643 unknown 3384.131534 unknown unknown unknown 158.4937202 unknown 3400.049679 unknown unknown unknown 173.8475433 unknown 3480.656129 unknown unknown unknown 176.264323 unknown 3538.484178 unknown unknown unknown -2.282608882 unknown 3560.688097 unknown unknown unknown -223.531924 unknown 3602.977367 unknown unknown unknown 397.6536785 unknown 3619.448723 unknown unknown unknown -11.6441085 unknown 3686.06181 unknown unknown unknown 23.57329675 unknown 3713.649309 unknown unknown unknown 78.93446147 unknown 3745.962802 unknown unknown unknown 45.04616355 unknown 3846.299735 unknown unknown unknown 96.52177333 unknown 3883.556857 unknown unknown unknown 123.4229807 unknown 3930.050686 unknown unknown unknown 351.2166462 unknown 3948.966547 unknown unknown unknown 110.5668399 unknown 4176.241589 unknown unknown unknown 1288.091898 unknown 4191.091806 unknown unknown unknown 267.6094676 unknown 4213.968859 unknown unknown unknown 51.23232897 unknown 4273.902148 unknown unknown unknown 485.8861199 unknown 4294.44941 unknown unknown unknown 97.38480426 unknown 4441.684106 unknown unknown unknown 172.5652913 unknown 4497.413701 unknown unknown unknown 374.9069586 unknown 4580.925364 unknown unknown unknown 554.0391234 unknown 4600.400185 unknown unknown unknown 224.535698 unknown 4618.571637 unknown unknown unknown 54.43201194 unknown 4802.663955 unknown unknown unknown 483.4152525 unknown 4887.738593 unknown unknown unknown 345.3399293 unknown 4906.752139 unknown unknown unknown 140.4235055 unknown 4940.917293 unknown unknown unknown 166.8740241 unknown 5152.153598 unknown unknown unknown 255.6915291 unknown 5169.05932 unknown unknown unknown 77.27809114 unknown 5231.27596 unknown unknown unknown 305.7992614 unknown 5248.342185 unknown unknown unknown 70.80900843 unknown 5559.046816 unknown unknown unknown 102.5444777 unknown 5805.801307 unknown unknown unknown 280.4613142 unknown 6095.10959 unknown unknown unknown 250.5558863 unknown 6110.636695 unknown unknown unknown 108.4119919 unknown 12187.52966 unknown unknown unknown 1194.220106 unknown 12204.99702 unknown unknown unknown 722.1666675 unknown 12222.24389 unknown unknown unknown 316.2455707