Table 1 Output in DTA format of the original DTA converter provided by the manufacturer (Export IDA Spectra.dll) and mzStar compared with the results of wiff2dta. All three used the same source file. The output of mzStar differs completely because this tool does not use any grouping of spectra as Export IDA Spectra and wiff2dta do. In DTA format, the first line is reserved for the mass of the parent ion and its charge. The other lines consist of pairs of m/z values and the corresponding intensities.

1012.5922

2

1013

2

1012.5922

2

211.0680

4.0000

55.0534

3

211.0680

4.0000

221.1128

4.0000

56.0418

2

221.1128

4.0000

273.1110

7.0000

56.0451

2

273.1110

7.0000

274.0969

3.0000

56.0484

2

274.0969

3.0000

281.0214

4.0000

56.0518

2

281.0214

4.0000

281.0846

4.0000

60.0487

2

281.0846

4.0000

291.1109

4.0000

69.0642

4

291.1109

4.0000

294.1899

4.0000

69.0679

7

294.1899

4.0000

312.0073

2.0000

69.0716

9

312.0073

2.0000

493.2674

2.0000

69.0753

4

493.2674

2.0000

506.3299

2.0000

69.079

2

506.3299

2.0000

507.2403

2.0000

72.0658

3

507.2403

2.0000

507.3192

2.0000

72.0696

13

507.3192

2.0000

507.3693

2.0000

72.0734

17

507.3693

2.0000

508.2601

2.0000

72.0772

34

508.2601

2.0000