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no. tR(min) measured m/z predicted m/z error (ppm) formula
1   30.928     135.0454        135.0452      1.48       C8H8O2
2   24.810     137.0242        137.0244     -2.19       C7H6O3
3   19.854     153.0192        153.0193     -0.65       C7H6O4
4   35.745     163.0404        163.0401      1.84       C9H8O3
5   29.748     177.0196        177.0193      1.69       C9H6O4
6   31.104     179.0348        179.0350     -1.12       C9H8O4

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