Mercurial > repos > fgiacomoni > hmdb_ms_search
view hmdb/test_data/out_test03.csv @ 0:9583f9772198 draft
Init and uploaded
| author | fgiacomoni |
|---|---|
| date | Thu, 28 Jan 2016 10:52:26 -0500 |
| parents | |
| children |
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ID MASS_SUBMIT HMDB_ID CPD_FORMULA CPD_MW DELTA mz_00001 175.01 HMDB60293 H2O3S2 113.94453531 0.000125 mz_00001 175.01 HMDB03745 C2H6O3S2 141.975835438 0.000676 mz_00001 175.01 HMDB31436 H4O4Si 95.987885149 0.000895 mz_00001 175.01 HMDB33657 C17H10O6 310.047738052 0.000914 mz_00001 175.01 HMDB35230 C17H10O6 310.047738052 0.000914 mz_00001 175.01 HMDB34155 CH4N2S 76.009518828 0.001744 mz_00001 175.01 HMDB01570 C10H13N2O7P 304.046037292 0.002237 mz_00001 175.01 HMDB01270 C3H8O10P2 265.9592695 0.003458 mz_00001 175.01 HMDB01294 C3H8O10P2 265.9592695 0.003458 mz_00001 175.01 HMDB60394 C9H12FN2O8P 326.031530087 0.004012 mz_00001 175.01 HMDB60015 C6H6O4S 173.99867937 0.004045 mz_00001 175.01 HMDB00021 C9H10INO3 306.970536611 0.004182 mz_00001 175.01 HMDB15167 C5H4N4S 152.015666838 0.005115 mz_00001 175.01 HMDB40364 C3H7MnO6P 224.936074104 0.005134 mz_00001 175.01 HMDB62056 C6H7O4P 174.008195703 0.005472 mz_00001 175.01 HMDB41485 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB00209 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB06853 C4H4O 68.02621475 0.005588 mz_00001 175.01 HMDB03767 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB40733 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB38176 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB33968 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB29635 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB33128 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB33766 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB40638 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB32568 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB29686 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB32603 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB32400 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB31459 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB13785 C4H4O 68.02621475 0.005588 mz_00001 175.01 HMDB02340 C8H8O2 136.0524295 0.005588 mz_00001 175.01 HMDB14912 C8H8F3N3O4S2 330.990831754 0.005966 mz_00001 175.01 HMDB60764 C16H11ClN4O 310.062138701 0.006286 mz_00001 175.01 HMDB40238 C6H10OS 130.045235632 0.006396 mz_00001 175.01 HMDB31370 C6H10OS 130.045235632 0.006396 mz_00001 175.01 HMDB37493 C6H10OS 130.045235632 0.006396 mz_00001 175.01 HMDB37787 C5H10N2 98.08439833 0.006562 mz_00001 175.01 HMDB61807 C10H9Cl3O2 265.966812653 0.007229 mz_00001 175.01 HMDB59985 C11H12O8S 304.02528805 0.008138 mz_00001 175.01 HMDB59987 C11H12O8S 304.02528805 0.008138 mz_00001 175.01 HMDB60020 C11H12O8S 304.02528805 0.008138 mz_00001 175.01 HMDB14581 C5H4N4O 136.03851077 0.008331 mz_00001 175.01 HMDB00157 C5H4N4O 136.03851077 0.008331 mz_00001 175.01 HMDB40631 C15H12O7 304.058302738 0.008369 mz_00001 175.01 HMDB31778 C14H9ClF2N2O2 310.032061659 0.008752 mz_00001 175.01 HMDB31160 C5H12S2 136.038041764 0.0088 mz_00001 175.01 HMDB33053 C5H12S2 136.038041764 0.0088 mz_00001 175.01 HMDB33054 C5H12S2 136.038041764 0.0088 mz_00001 175.01 HMDB29694 C8H8OS 152.029585568 0.008804 mz_00001 175.01 HMDB29783 C14H14O8 310.068867424 0.009651 mz_00001 175.01 HMDB00613 C4H8O5 136.037173366 0.009669 mz_00001 175.01 HMDB00943 C4H8O5 136.037173366 0.009669 mz_00001 175.01 HMDB00115 C2H4O3 76.016043994 0.011306 mz_00001 175.01 HMDB31608 C2H4O3 76.016043994 0.011306 mz_00001 175.01 HMDB41797 C8H6Cl2O3 219.969399472 0.011761 mz_00001 175.01 HMDB15413 C12H14N4O4S 310.073575646 0.012005 mz_00001 175.01 HMDB15621 C12H14N4O4S 310.073575646 0.012005 mz_00001 175.01 HMDB31825 C8H8S 136.034670946 0.012171 mz_00001 175.01 HMDB31781 C14H15O2PS2 310.025107616 0.012229 mz_00001 175.01 HMDB00634 C5H6O4 130.02660868 0.012231 mz_00001 175.01 HMDB00620 C5H6O4 130.02660868 0.012231 mz_00001 175.01 HMDB61185 C5H6O4 130.02660868 0.012231 mz_00001 175.01 HMDB00749 C5H6O4 130.02660868 0.012231 mz_00001 175.01 HMDB02092 C5H6O4 130.02660868 0.012231 mz_00001 175.01 HMDB33809 C5H6O4 130.02660868 0.012231 mz_00001 175.01 HMDB13233 C5H6O4 130.02660868 0.012231 mz_00001 175.01 HMDB59743 C5H6O4 130.02660868 0.012231 mz_00001 175.01 HMDB60365 C5H6O4 130.02660868 0.012231 mz_00001 175.01 HMDB60689 C4H11Cl2N2O2P 219.993519532 0.01236 mz_00001 175.01 HMDB60691 C4H11Cl2N2O2P 219.993519532 0.01236 mz_00001 175.01 HMDB00292 C5H4N4O2 152.033425392 0.012643 mz_00001 175.01 HMDB00786 C5H4N4O2 152.033425392 0.012643 mz_00001 175.01 HMDB01182 C5H4N4O2 152.033425392 0.012643 mz_00001 175.01 HMDB00072 C6H6O6 174.016437924 0.013714 mz_00001 175.01 HMDB00958 C6H6O6 174.016437924 0.013714 mz_00001 175.01 HMDB01264 C6H6O6 174.016437924 0.013714 mz_00001 175.01 HMDB61101 C11H10BrN5O 307.006872614 0.013986 mz_00001 175.01 HMDB01520 C17H21N4O9P 456.104614802 0.01409 mz_00001 175.01 HMDB37945 C23H20O10 456.10564686 0.014434 mz_00001 175.01 HMDB39328 C23H20O10 456.10564686 0.014434 mz_00001 175.01 HMDB40200 C7H10OS2 174.017306322 0.014582 mz_00001 175.01 HMDB29614 C13H21O2PS2 304.072057808 0.015247 mz_00001 175.01 HMDB32909 C19H12O4 304.073558872 0.015997 mz_00001 175.01 HMDB38322 C19H12O4 304.073558872 0.015997 mz_00001 175.01 HMDB41450 C19H12O4 304.073558872 0.015997 mz_00001 175.01 HMDB15176 C13H18Cl2N2O2 304.074533244 0.016485 mz_00001 175.01 HMDB03152 C7H8N2O 136.063662888 0.016821 mz_00001 175.01 HMDB33947 C7H8N2O 136.063662888 0.016821 mz_00001 175.01 HMDB37819 C7H8N2O 136.063662888 0.016821 mz_00001 175.01 HMDB30001 C7H8N2O 136.063662888 0.016821 mz_00001 175.01 HMDB59711 C7H8N2O 136.063662888 0.016821 mz_00001 175.01 HMDB40357 C18H14O5 310.084123558 0.017279 mz_00001 175.01 HMDB03315 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB31563 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB30332 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB31564 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB33714 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB33549 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB31498 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB31497 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB31196 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB31496 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB35239 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB40264 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB40271 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB62031 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB62127 C6H10O 98.073164942 0.017795 mz_00001 175.01 HMDB62136 C7H14 98.109550448 0.01859 mz_00001 175.01 HMDB61783 C7H14 98.109550448 0.01859 mz_00001 175.01 HMDB61892 C7H14 98.109550448 0.01859 mz_00001 175.01 HMDB61893 C7H14 98.109550448 0.01859 mz_00001 175.01 HMDB61895 C7H14 98.109550448 0.01859 mz_00001 175.01 HMDB61894 C7H14 98.109550448 0.01859 mz_00001 175.01 HMDB15679 C13H8Cl2N2O4 325.986112168 0.018697 mz_00001 175.01 HMDB61135 C16H17ClN2S 304.080096951 0.019266 mz_00001 175.01 HMDB29199 C14H14O9 326.063782046 0.020138 mz_00001 175.01 HMDB12152 C9H17O12P 348.04576252 0.020157 mz_00001 175.01 HMDB00175 C10H13N4O8P 348.047099924 0.020826 mz_00001 175.01 HMDB11681 C10H13N4O8P 348.047099924 0.020826 mz_00001 175.01 HMDB14684 C4H3FN2O2 130.017855555 0.020984 mz_00001 175.01 HMDB39638 C9H6N2S 174.025168892 0.022445 mz_00001 175.01 HMDB60086 C18H24N4O8S 456.131484454 0.023046 mz_00001 175.01 HMDB14649 C12H9N3O5S 307.026291103 0.023696 mz_00001 175.01 HMDB00695 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB00408 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB00491 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB01864 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB06024 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB10717 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB33302 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB33286 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB31216 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB31218 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB33698 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB31214 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB59876 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB12882 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB61881 C6H10O3 130.062994186 0.024154 mz_00001 175.01 HMDB59664 C4H8O2S2 151.99657088 0.024211 mz_00001 175.01 HMDB31188 C2H4OS 75.99828544 0.024211 mz_00001 175.01 HMDB35716 C4H8O2S2 151.99657088 0.024211 mz_00001 175.01 HMDB33670 C4H8O2S2 151.99657088 0.024211 mz_00001 175.01 HMDB01067 C11H16N2O8 304.090665498 0.024551 mz_00001 175.01 HMDB02818 C4H2N2O4 142.001456562 0.024946 mz_00001 175.01 HMDB38442 C4H7NS2 133.001990609 0.025814 mz_00001 175.01 HMDB00703 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB01101 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB00020 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB00440 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB00669 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB02390 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB03791 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB04815 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB12308 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB30662 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB41507 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB36907 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB32919 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB41283 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB29657 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB32606 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB34172 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB30745 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB32604 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB29661 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB29662 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB32572 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB32629 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB33003 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB41294 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB32594 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB31609 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB29658 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB29659 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB33866 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB29660 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB32399 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB38519 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB29179 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB29175 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB29228 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB29231 C16H16O6 304.094688244 0.026562 mz_00001 175.01 HMDB60390 C8H8O3 152.047344122 0.026562 mz_00001 175.01 HMDB62005 C8H8O3 152.047344118 0.026562 mz_00001 175.01 HMDB11659 C5H12O4 136.073558872 0.026717 mz_00001 175.01 HMDB33919 C5H12O4 136.073558872 0.026717 mz_00001 175.01 HMDB31201 C5H12O4 136.073558872 0.026717 mz_00001 175.01 HMDB14805 C5H15N3O8P2 307.033437495 0.027269 mz_00001 175.01 HMDB00973 HO4P 95.961245032 0.027535 mz_00001 175.01 HMDB36343 C18H14O6 326.07903818 0.027766 mz_00001 175.01 HMDB33100 C18H14O6 326.07903818 0.027766 mz_00001 175.01 HMDB37570 C18H14O6 326.07903818 0.027766 mz_00001 175.01 HMDB30590 C18H14O6 326.07903818 0.027766 mz_00001 175.01 HMDB35880 C15H18O7 310.10525293 0.027843 mz_00001 175.01 HMDB30293 C15H18O7 310.10525293 0.027843 mz_00001 175.01 HMDB39958 C15H18O7 310.10525293 0.027843 mz_00001 175.01 HMDB01216 C6H8N4 136.074896276 0.028054 mz_00001 175.01 HMDB01525 C3H4N2 68.037448138 0.028054 mz_00001 175.01 HMDB30577 C10H6O3 174.031694058 0.02897 mz_00001 175.01 HMDB30773 C10H6O3 174.031694058 0.02897 mz_00001 175.01 HMDB59586 C8HF17O3S 499.937494073 0.029579 mz_00001 175.01 HMDB32943 C12H21N2O3PS 304.10104975 0.029743 mz_00001 175.01 HMDB33548 C5H6O2S 130.008850126 0.02999 mz_00001 175.01 HMDB34073 C10H16N4O7 304.101898886 0.030167 mz_00001 175.01 HMDB39723 C11H18O11 326.084911418 0.030703 mz_00001 175.01 HMDB40737 C11H18O11 326.084911418 0.030703 mz_00001 175.01 HMDB60455 C6H3ClO4 173.971986291 0.030738 mz_00001 175.01 HMDB38263 C23H22O14 522.100955412 0.030928 mz_00001 175.01 HMDB37457 C23H22O14 522.100955412 0.030928 mz_00001 175.01 HMDB35462 C23H22O14 522.100955412 0.030928 mz_00001 175.01 HMDB38262 C23H22O14 522.100955412 0.030928 mz_00001 175.01 HMDB12916 CH2NO2S 91.980624003 0.030994 mz_00001 175.01 HMDB11688 C5H12O11P2 309.98548425 0.032041 mz_00001 175.01 HMDB38665 C15H16N2O5 304.105921632 0.032179 mz_00001 175.01 HMDB61312 C15H14ClNO2S 307.043377094 0.032239 mz_00001 175.01 HMDB37731 C6H6O2S 142.008850126 0.032339 mz_00001 175.01 HMDB37762 C6H6O2S 142.008850126 0.032339 mz_00001 175.01 HMDB29719 C6H6O2S 142.008850126 0.032339 mz_00001 175.01 HMDB60503 C5H4O2 96.021129372 0.032349 mz_00001 175.01 HMDB32914 C5H4O2 96.021129372 0.032349 mz_00001 175.01 HMDB62029 C5H4O2 96.021129369 0.032349 mz_00001 175.01 HMDB01059 C6H16O18P4 499.928709756 0.032507 mz_00001 175.01 HMDB01187 C6H16O18P4 499.928709756 0.032507 mz_00001 175.01 HMDB03848 C6H16O18P4 499.928709756 0.032507 mz_00001 175.01 HMDB04527 C6H16O18P4 499.928709756 0.032507 mz_00001 175.01 HMDB11741 C14H18N2O6 310.116486318 0.03346 mz_00001 175.01 HMDB15140 CH4N2O2 76.027277382 0.033773 mz_00001 175.01 HMDB34833 H8N2S 68.040818956 0.034796 mz_00001 175.01 HMDB33956 C4H7Cl2O4P 219.945900638 0.035259 mz_00001 175.01 HMDB29396 C5H10N2O2 130.074227574 0.035388 mz_00001 175.01 HMDB30405 C5H10N2O2 130.074227574 0.035388 mz_00001 175.01 HMDB36635 C19H18O4 310.120509064 0.035472 mz_00001 175.01 HMDB41298 C19H18O4 310.120509064 0.035472 mz_00001 175.01 HMDB33310 C19H18O4 310.120509064 0.035472 mz_00001 175.01 HMDB31744 C19H18O4 310.120509064 0.035472 mz_00001 175.01 HMDB00839 C20H14N4 310.121846468 0.03614 mz_00001 175.01 HMDB39926 C22H28O11S 500.135232428 0.036334 mz_00001 175.01 HMDB01448 O4S 95.951729178 0.037051 mz_00001 175.01 HMDB15102 C19H19ClN2 310.123676325 0.037055 mz_00001 175.01 HMDB04230 C5H5NO2 111.032028409 0.037793 mz_00001 175.01 HMDB38175 C5H5NO2 111.032028409 0.037793 mz_00001 175.01 HMDB04194 C7H8N2O2 152.05857751 0.037796 mz_00001 175.01 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