Mercurial > repos > recetox > mzspeclib_validate
annotate test-data/sample.txt @ 0:884e26ef99ce draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
| author | recetox |
|---|---|
| date | Mon, 30 Jun 2025 08:11:44 +0000 |
| parents | |
| children |
| rev | line source |
|---|---|
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0
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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1 <mzSpecLib> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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changeset
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2 MS:1003186|library format version=1.0 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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3 MS:1003188|library name=dataset_37ac08b5-2367-4c10-9dc7-7750885ff733.dat |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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4 <AttributeSet Spectrum=all> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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5 <AttributeSet Analyte=all> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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6 <AttributeSet Interpretation=all> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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7 <Spectrum=1> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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8 MS:1003061|library spectrum name=Hydrogen |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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9 MS:1003059|number of peaks=2 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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10 [1]MS:1003275|other attribute name=CASNO |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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11 [1]MS:1003276|other attribute value=1333740 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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12 [2]MS:1003275|other attribute name=ID |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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13 [2]MS:1003276|other attribute value=1 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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14 [3]MS:1003275|other attribute name=COMMENT |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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15 [3]MS:1003276|other attribute value=NIST MS# 245692, Seq# M1 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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16 <Analyte=1> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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17 MS:1000866|molecular formula=H2 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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18 MS:1003243|adduct ion mass=2 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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19 <Peaks> |
|
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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20 1.0 20.98 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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21 2.0 999.0 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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22 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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23 <Spectrum=2> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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24 MS:1003061|library spectrum name=Deuterium |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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25 MS:1003059|number of peaks=2 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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26 [1]MS:1003275|other attribute name=CASNO |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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27 [1]MS:1003276|other attribute value=7782390 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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28 [2]MS:1003275|other attribute name=ID |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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29 [2]MS:1003276|other attribute value=2 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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30 [3]MS:1003275|other attribute name=COMMENT |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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31 [3]MS:1003276|other attribute value=NIST MS# 61316, Seq# M2 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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32 <Analyte=1> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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changeset
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33 MS:1000866|molecular formula=D2 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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34 MS:1003243|adduct ion mass=4 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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35 <Peaks> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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36 2.0 14.99 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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37 4.0 999.0 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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38 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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39 <Spectrum=3> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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40 MS:1003061|library spectrum name=Methane |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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41 MS:1003059|number of peaks=6 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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42 [1]MS:1003275|other attribute name=CASNO |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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43 [1]MS:1003276|other attribute value=74828 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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44 [2]MS:1003275|other attribute name=ID |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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45 [2]MS:1003276|other attribute value=3 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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46 [3]MS:1003275|other attribute name=COMMENT |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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47 [3]MS:1003276|other attribute value=Any=100 ; NIST MS# 61313, Seq# M64 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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48 <Analyte=1> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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49 MS:1000866|molecular formula=CH4 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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changeset
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50 MS:1003243|adduct ion mass=16 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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51 <Peaks> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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changeset
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52 12.0 37.97 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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53 13.0 105.9 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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54 14.0 203.82 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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55 15.0 886.2 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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56 16.0 999.0 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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57 17.0 15.99 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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58 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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changeset
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59 <Spectrum=4> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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60 MS:1003061|library spectrum name=Methane |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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61 MS:1003059|number of peaks=6 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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62 [1]MS:1003275|other attribute name=CASNO |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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63 [1]MS:1003276|other attribute value=74828 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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64 [2]MS:1003275|other attribute name=ID |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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changeset
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65 [2]MS:1003276|other attribute value=4 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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66 [3]MS:1003275|other attribute name=COMMENT |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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67 [3]MS:1003276|other attribute value=Any=100 ; NIST MS# 18807, Seq# R26 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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68 <Analyte=1> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
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changeset
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69 MS:1000866|molecular formula=CH4 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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changeset
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70 MS:1003243|adduct ion mass=16 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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changeset
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71 <Peaks> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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72 12.0 25.98 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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73 13.0 85.92 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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74 14.0 170.85 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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75 15.0 855.23 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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76 16.0 999.0 ? |
|
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
parents:
diff
changeset
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77 17.0 10.99 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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78 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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79 <Spectrum=5> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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80 MS:1003061|library spectrum name=Methane |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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81 MS:1003059|number of peaks=6 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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82 [1]MS:1003275|other attribute name=CASNO |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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83 [1]MS:1003276|other attribute value=74828 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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84 [2]MS:1003275|other attribute name=ID |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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85 [2]MS:1003276|other attribute value=5 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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86 [3]MS:1003275|other attribute name=COMMENT |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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87 [3]MS:1003276|other attribute value=Any=100 ; NIST MS# 18809, Seq# R27 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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88 <Analyte=1> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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89 MS:1000866|molecular formula=CH4 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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90 MS:1003243|adduct ion mass=16 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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91 <Peaks> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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92 12.0 7.99 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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diff
changeset
|
93 13.0 28.97 ? |
|
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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diff
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94 14.0 74.93 ? |
|
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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diff
changeset
|
95 15.0 753.32 ? |
|
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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diff
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|
96 16.0 999.0 ? |
|
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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diff
changeset
|
97 17.0 11.99 ? |
|
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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98 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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99 <Spectrum=6> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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100 MS:1003061|library spectrum name=Methane |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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101 MS:1003059|number of peaks=6 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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102 [1]MS:1003275|other attribute name=CASNO |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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103 [1]MS:1003276|other attribute value=74828 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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104 [2]MS:1003275|other attribute name=ID |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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105 [2]MS:1003276|other attribute value=6 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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106 [3]MS:1003275|other attribute name=COMMENT |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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107 [3]MS:1003276|other attribute value=Any=100 ; NIST MS# 423924, Seq# R28 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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108 <Analyte=1> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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109 MS:1000866|molecular formula=CH4 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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110 MS:1003243|adduct ion mass=16 |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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111 <Peaks> |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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112 12.0 25.98 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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diff
changeset
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113 13.0 74.93 ? |
|
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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114 14.0 152.86 ? |
|
884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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115 15.0 829.25 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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116 16.0 999.0 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
recetox
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diff
changeset
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117 17.0 10.99 ? |
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884e26ef99ce
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/main/tools/mzspeclib commit 6707579ea4c2d22b625b85c30e5b9705ae142b20
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118 |