Mercurial > repos > fgiacomoni > massbank_ws_searchspectrum

comparison test-data/input03_1mz-1pcgroup-mz-relative_int.tabular @ 0:023c380900ef draft default tip

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Init repository with last massbank_ws_searchspectrum master version
author fgiacomoni
date Wed, 19 Apr 2017 11:31:58 -0400
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comparison
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-1:000000000000 0:023c380900ef
1 mz mzmin mzmax rt rtmin rtmax into intb maxo sn sample isotopes adduct pcgroup
2 303.0485467 303.0479126 303.0501709 273.698 270.334 278.072 247182.3356 246032.8821 80132 351 1 [8][M]+ 1
3 304.0519266 304.050354 304.0531006 273.362 270.671 278.072 39377.69332 39179.45225 12431 267 1 [8][M+1]+ 1
4 305.0552454 305.0523376 305.0632324 274.034 271.007 278.072 6932.447143 6916.875306 2489 149 1 [8][M+2]+ 1
5 611.1574452 611.1509399 611.159729 273.362 270.334 278.072 52749.60957 52698.08698 21130 1529 1 [6][M]+ [M+H]+ 610.147 2
6 503.0443595 503.0398865 503.0495605 274.034 270.671 278.744 2661.062625 2635.329938 919 62 1 1
7 297.0306054 297.0255432 297.038147 278.072 275.38 280.426 1108.1016 1103.392 385 384 1 3
8 301.0504305 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
9 21.1283748 21.1159668 21.1455688 78.072 76.389 79.753 34.6288 31.6012 258 43 1 [X]+ 94.055 4