view test-data/file02.msp @ 27:81c4fdfbcb5a draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
author tomnl
date Tue, 17 Jul 2018 12:18:03 -0400
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NAME: 9-1-212
PRECURSORMZ: 79.0218887329102
Comment:
Num Peaks: 12
53.1700401306152	2441.47143554688
55.1893730163574	2006.07958984375
58.9013671875	2539.39086914062
59.9673500061035	13423.1376953125
61.0115776062012	4831.0986328125
62.9908828735352	3668.52905273438
63.9986190795898	54386.6640625
73.8388671875	2330.30126953125
78.5768051147461	2563.25
79.0221328735352	2581.44604492188
96.8009872436523	2530.70141601562
99.6652908325195	2961.3095703125

NAME: 11-1-1284
PRECURSORMZ: 79.9903564453125
Comment:
Num Peaks: 3
51.6917915344238	584.212829589844
53.0398750305176	649.807922363281
97.3154754638672	596.341003417969

NAME: 19-1-1497
PRECURSORMZ: 86.060661315918
Comment:
Num Peaks: 4
53.0031318664551	9658.7939453125
53.1939277648926	1998.81518554688
80.3447494506836	2044.23645019531
101.307479858398	2181.85522460938

NAME: 19-1-1498
PRECURSORMZ: 86.0606307983398
Comment:
Num Peaks: 11
52.6782836914062	1061.12646484375
53.0032196044922	15176.8583984375
53.1121788024902	1193.6044921875
53.9984169006348	2790.28930664062
54.0287094116211	999.250427246094
56.7024726867676	1171.42797851562
69.0346069335938	1878.03894042969
72.9083633422852	1256.455078125
74.0740356445312	1324.07055664062
80.5324630737305	1329.61022949219
91.0167770385742	1362.0029296875

NAME: 19-1-1500
PRECURSORMZ: 86.0606536865234
Comment:
Num Peaks: 5
53.0031509399414	29580.330078125
55.3490409851074	4989.64990234375
61.990592956543	4089.9619140625
63.2290992736816	4168.97412109375
67.6647109985352	5392.48779296875