Mercurial > repos > fgiacomoni > bih4maconda

annotate test-data/outTab_test03.tabular @ 0:de13e2c45971 draft

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Init repository for bih4maconda
author fgiacomoni
date Tue, 21 Jan 2020 15:49:00 -0500
parents
children 2744d20c830a
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1 _MESURED_MONOISOTOPIC_MASS_ _PPM_ERROR_ _COMPUTED_MONOISOTOPIC_MASS_ _ANNOTATION_NAME_ _ANNOTATION_TYPE_ _ANNOTATION_IN_NEG_MODE_ _ANNOTATION_IN_POS_MODE_ _ANNOTATION_FORMULA_
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2 44.9981010714674 2.27787390043874 44.9982036 "Formic acid" unknown [M-H]- NA NA
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3 44.9981024029652 2.24898372588555 44.9982036 "Formic acid" unknown [M-H]- NA NA
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4 44.998112256197 2.02897400406895 44.9982036 "Formic acid" unknown [M-H]- NA NA
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5 57.034452592233 0 0 NA NA NA NA NA
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6 59.0137157156687 2.33674491307088 59.0138536 "Acetic Acid" Solvent [M-H]- NA NA
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7 59.0137129234658 2.38419162309737 59.0138536 "Acetic Acid" Solvent [M-H]- NA NA
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8 61.9882231262141 0 0 NA NA NA NA NA
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9 71.0137007829942 0 0 NA NA NA NA NA
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10 71.0136946160437 0 0 NA NA NA NA NA
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11 72.9929608377945 0 0 NA NA NA NA NA
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12 73.0293713662007 0 0 NA NA NA NA NA
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13 74.0246025925501 0 0 NA NA NA NA NA
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14 75.0086106690331 0 0 NA NA NA NA NA
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15 78.9187053591132 0 0 NA NA NA NA NA
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16 78.9589162539509 1.77687342552627 78.9590566 "Phosphoric acid" unknown [M-H3O]- NA NA
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17 79.9572959941509 0.870464654095999 79.9573656 "Sulphuric acid" unknown [M-H2O]- NA NA
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18 79.9572310694573 1.68214929658035 79.9573656 "Sulphuric acid" unknown [M-H2O]- NA NA
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19 79.9572880455522 0.970518159092524 79.9573656 "Sulphuric acid" unknown [M-H2O]- NA NA
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20 80.9166655796872 0 0 NA NA NA NA NA
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21 80.9651104476057 0 0 NA NA NA NA NA
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22 80.9651013882625 0 0 NA NA NA NA NA
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39 94.9807499641041 0.953877496589996 94.9808406 Methanesulfonate unknown [M-H]- NA NA
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40 95.0138235296212 0 0 NA NA NA NA NA
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41 96.9600605566796 0 0 NA NA NA NA NA
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42 96.9600063916444 0 0 NA NA NA NA NA
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