Mercurial > repos > fgiacomoni > massbank_ws_searchspectrum
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Init repository with last massbank_ws_searchspectrum master version
| author | fgiacomoni |
|---|---|
| date | Wed, 19 Apr 2017 11:31:58 -0400 |
| parents | |
| children |
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mz mzmin mzmax rt rtmin rtmax into intb maxo sn sample isotopes adduct pcgroup 303.0485467 303.0479126 303.0501709 273.698 270.334 278.072 247182.3356 246032.8821 80132 351 1 [8][M]+ 1 304.0519266 304.050354 304.0531006 273.362 270.671 278.072 39377.69332 39179.45225 12431 267 1 [8][M+1]+ 1 305.0552454 305.0523376 305.0632324 274.034 271.007 278.072 6932.447143 6916.875306 2489 149 1 [8][M+2]+ 1 325.0531081 325.0501099 325.0581665 273.698 271.007 278.744 16589.13717 16498.21541 4449 72 1 [1][M]+ 1 325.5558227 325.5527039 325.5592346 273.698 270.334 278.744 5385.764 5364.939238 1474 158 1 1 326.0658445 326.0617065 326.0741272 274.034 271.007 278.408 3192.858682 3180.844071 959 118 1 [1][M+1]+ 1 334.0589389 334.0574951 334.0603943 273.698 270.334 278.744 54965.0688 54850.32436 13751 389 1 1 334.5601886 334.5524292 334.5627747 273.362 270.334 279.753 16357.10268 16227.57541 4281 166 1 1 335.0608018 335.0567017 335.0646362 274.034 270.671 278.072 5194.492773 5184.064091 1421 148 1 1 465.101281 465.0989685 465.1035461 273.698 270.334 278.408 108485.9646 108377.6304 35620 1343 1 [10][M]+ [M+H-C6H10O4]+ 610.147 1 466.1044404 466.0985107 466.1070862 273.362 270.334 278.072 26116.08643 26072.63829 8449 532 1 [10][M+1]+ 1 467.1065989 467.1006775 467.1124573 274.034 270.671 278.072 5576.989909 5560.706107 2070 174 1 [10][M+2]+ 1 503.0443595 503.0398865 503.0495605 274.034 270.671 278.744 2661.062625 2635.329938 919 62 1 1 519.0203434 519.0109863 519.03125 273.698 271.007 278.408 3261.486136 3233.291851 1105 74 1 [2][M]+ 1 520.0216826 520.0151978 520.031189 274.371 271.007 278.072 767.3935714 756.3133696 303 20 1 [2][M+1]+ 1 611.1574452 611.1509399 611.159729 273.362 270.334 278.072 52749.60957 52698.08698 21130 1529 1 [6][M]+ [M+H]+ 610.147 1 612.1618463 612.1569824 612.166626 273.362 270.671 277.735 16140.56724 16129.11427 6402 867 1 [6][M+1]+ 1 613.1621027 613.1480713 613.1749268 273.698 271.007 278.072 3880.703571 3874.311429 1483 291 1 [6][M+2]+ 1 630.6266888 630.6172485 630.6311646 273.698 271.007 278.072 17110.08429 17103.35571 6626 1590 1 [4][M]2+ 1 631.1270815 631.1121216 631.1309814 274.034 270.671 278.072 7219.6755 7213.283727 2839 876 1 [4][M+1]2+ 1 633.1395015 633.1376953 633.1422119 273.698 270.334 278.408 78153.96508 77951.91484 23827 744 1 [9][M]+ [M+Na]+ 610.147 1 634.1424296 634.1401978 634.1456909 273.698 270.334 278.408 23879.52783 23851.69336 7234 695 1 [9][M+1]+ 1 635.1427623 635.1370239 635.1464844 273.698 270.334 278.408 7234.640417 7226.23 2120 2119 1 [9][M+2]+ 1 636.1507892 636.1391602 636.1651001 274.371 271.007 278.744 1583.057478 1561.299402 636 47 1 [9][M+3]+ 1 649.1057016 649.1015625 649.1113892 273.362 270.671 277.735 5106.935619 5097.414576 1555 240 1 [3][M]2+ [2M+2K]2+ 610.147 1 649.6002579 649.5925293 649.6157227 273.698 271.343 277.735 972.9296842 967.2105263 351 77 1 [3][M+1]2+ 1 650.1081035 650.0990601 650.1168213 273.698 271.007 279.417 1549.122 1535.345619 602 64 1 [3][M+2]2+ 1 655.1225036 655.1105957 655.1422119 273.362 270.671 277.399 1257.1268 1250.7352 412 86 1 [M+2Na-H]+ 610.147 1 717.0893975 717.0775146 717.1069946 273.698 273.362 278.408 453.1308 447.1303628 171 26 1 [M+K+NaCOOH]+ 610.147 1 135.0459028 135.0454712 135.0463409 280.426 276.725 285.476 97555.81142 97424.69475 30037 822 1 [14][M]+ [M+H-H2O]+ 152.048 2 136.0490744 136.0469818 136.0510406 280.426 277.061 284.126 9243.038571 9236.31 2771 477 1 [14][M+1]+ 2 153.0565924 153.0544586 153.0579376 280.426 276.725 282.78 4206.543056 4165.861024 1470 39 1 [M+H]+ 152.048 2 175.0362187 175.0328674 175.0382385 280.426 278.072 283.789 7465.729412 7459.72416 2930 310 1 [13][M]+ [M+Na]+ 152.048 2 176.0376081 176.0342712 176.0409698 280.089 275.716 281.098 410.713875 408.695625 320 108 1 [13][M+1]+ 2 197.0192355 197.0154266 197.0233002 280.762 277.735 284.126 963.0227895 952.3813158 394 30 1 [M+2Na-H]+ 152.048 2 403.0711753 403.0660706 403.0734253 279.753 278.408 282.78 399.5335385 396.1704615 260 26 1 2 117.0358602 117.033165 117.0389862 278.072 275.38 281.098 994.5956471 970.9683282 507 24 1 3 145.0301952 145.0294189 145.0324097 278.072 274.707 282.107 20533.65455 20181.26777 7200 53 1 [12][M]+ 3 146.0338015 146.0315704 146.0370331 278.072 276.052 281.098 2337.98 2333.2704 849 848 1 [12][M+1]+ 3 149.0608613 149.0575104 149.0633545 278.072 275.043 281.098 3561.349167 3549.48464 1285 90 1 [M+H-C2H2O2]+ 194.055 [M+H-NO2]+ 194.055 3 163.0397626 163.0365295 163.042099 277.735 276.052 279.417 718.091 709.4482632 368 25 1 [M+H-CH4O]+ 194.055 3 177.0539492 177.0531006 177.05513 278.072 274.034 282.444 31098.8344 30490.44511 11319 57 1 [11][M]+ [M+H-H2O]+ 194.055 3 178.0578014 178.0528107 178.0614929 278.072 275.043 282.78 3510.916043 3464.439494 1316 54 1 [11][M+1]+ 3 195.0644538 195.0613861 195.0670013 278.072 275.716 280.762 1925.5536 1901.981571 858 35 1 [M+H]+ 194.055 3 196.0700972 196.0676727 196.0720062 278.072 277.061 281.435 279.2630769 271.3225846 204 13 1 [M+K]+ 157.103 3 217.047301 217.044632 217.0532379 277.735 275.38 279.417 1703.950417 1700.249833 886 885 1 [M+Na]+ 194.055 3 233.0121036 233.0091858 233.0163269 278.072 274.707 282.107 3540.9 3531.509848 1481 132 1 [M+K]+ 194.055 3 251.0221026 251.0169678 251.0265961 278.072 273.698 281.435 3523.02613 3499.142348 1254 70 1 [M+Na+K]2+ 440.098 3 269.0328959 269.0281982 269.0385742 278.072 276.052 281.771 2372.712176 2351.730706 1008 67 1 [M+H-CH4O]+ 300.045 3 279.0200882 279.0171509 279.0247803 278.408 275.043 280.762 740.7787059 734.4572941 454 41 1 [M+K+HCOOH]+ 194.055 3 297.0306054 297.0255432 297.038147 278.072 275.38 280.426 1108.1016 1103.392 385 384 1 3 301.0504305 301.0436401 301.0579834 277.735 274.371 281.435 486.0704762 468.779315 240 12 1 [M+H]+ 300.045 [M+H-C7H6O2]+ 422.084 3 308.0261572 308.0209351 308.034668 278.072 275.716 282.444 751.5176 741.6344 323 27 1 3 315.0378642 315.0346375 315.0412598 277.735 276.389 279.753 570.8708 568.516 324 323 1 [M+H-H14O7]+ 440.098 3 371.2623675 371.2585754 371.2679749 277.399 275.38 279.417 1014.632667 1010.932083 456 455 1 [M+H-C3H4]+ 410.275 3 422.0847921 422.0766602 422.0930786 277.399 275.716 279.081 817.022 813.9935 617 129 1 3 425.0339018 425.0305176 425.0410461 277.735 276.052 279.417 398.7525 388.7106316 267 13 1 3 427.0703433 427.0647888 427.0771484 278.072 274.707 282.107 1897.090909 1889.026807 1024 98 1 [7][M]+ [2M+K]+ 194.055 3 428.071429 428.0612793 428.0791016 278.072 273.362 280.762 553.6545455 544.381348 310 27 1 [7][M+1]+ 3 443.0411698 443.0319519 443.0491333 278.072 273.362 280.089 842.8931 834.6301017 384 31 1 3 445.074958 445.0639954 445.0813599 277.735 274.707 281.098 1661.996368 1649.526711 758 53 1 [5][M]+ [M+Na]+ 422.084 3 446.0817674 446.0753784 446.0857849 277.735 276.725 280.426 352.6043636 348.2589676 238 23 1 [5][M+1]+ 3 449.2321066 449.2252808 449.2385864 277.735 275.716 282.107 1741.715684 1720.915388 631 37 1 [M+K]+ 410.275 3 463.0878154 463.078186 463.0952759 278.072 274.707 283.116 819.0366 814.7170295 408 71 1 [M+Na]+ 440.098 3 472.296343 472.2885132 472.3045959 277.399 275.716 280.089 369.0139231 363.6954096 249 23 1 [3M+H]+ 157.103 3 480.3076532 480.2977295 480.315033 277.399 276.052 280.762 412.125 404.4284586 208 19 1 3 607.1399722 607.1333618 607.1530151 278.072 274.034 282.107 284.236875 281.321625 211 34 1 3 621.1283748 621.1159668 621.1455688 278.072 276.389 279.753 434.6288 431.6012 258 43 1 [3M+K]+ 194.055 3 21.1283748 21.1159668 21.1455688 78.072 76.389 79.753 34.6288 31.6012 258 43 1 [X]+ 94.055 4