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annotate test-data/out_sum_test03.tabular @ 2:1276908e8fc4 draft

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Master branch Updating - - Fxx
author fgiacomoni
date Mon, 20 Aug 2018 09:17:05 -0400
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1 MASS CLUSTER_DELTA CLUSTER_FORMULA CLUSTER_NAME CLUSTER_TOTAL
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2 521.347724 -0.00 C26H52NO7P PC_18:1 6
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3 521.347724 -0.00 C26H52NO7P PC_18:1[rac] 1
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4 521.347724 -0.00 C26H52NO7P PC-O_18:1 1
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5 521.347724 -0.00 C26H52NO7P LysoPC(18:1(11Z)) 1
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6 521.347724 -0.00 C26H52NO7P PC-P_18:0 1
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7 507.368724 -0.00 C26H54NO6P PC-O_18:1 3
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8 507.368724 -0.00 C26H54NO6P PC-P_18:0 1
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9 507.368724 -0.04 C25H50NO7P PC_17:1 2
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10 479.310724 -0.01 C23H46NO7P PC_15:1 1
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12 479.310724 0.03 C24H50NO6P PC-P_16:0 1
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13 567.331724 0.00 C30H50NO7P PC_22:6 1