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annotate test-data/invalid_adduct.msp @ 4:eb581a101672 draft

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planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
author tomnl
date Thu, 01 Aug 2019 09:02:47 -0400
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Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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4
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
1 NAME: MZ:70.0659 | RT:1483 | XCMS_group:1 | file:1 | scan:NA | pid:NA
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
2 PRECURSORMZ: 70.0658950805664
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
3 ADDUCT: [M+INVALID_ADDUCT]+
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
4 Comment:
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
5 Num Peaks: 8
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
6 50.4781379699707 3487.4296875 4.61
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
7 51.0193099975586 3390.96948242188 4.49
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
8 53.0031509399414 10011.958984375 13.25
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
9 53.5898513793945 4252.7880859375 5.63
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
10 54.3787727355957 3541.5107421875 4.69
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
11 69.0455169677734 9650.0107421875 12.77
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
12 70.0660934448242 37168.609375 49.18
eb581a101672 planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 28da8cdf5f9cc45575b614a329da5790803e59c4
tomnl
parents:
diff changeset
13 82.9910659790039 4077.36694335938 5.39