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Commits on May 28, 2020

• Sort annotation according to m/z

  

  René Meier

  committed
  e658470

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Commits on Jul 9, 2019

• Unify/fix chemical information, add/fix PubChem CIDs

  

  René Meier

  committed
  ec3e3fe

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Commits on Jul 8, 2019

• Unify/fix chemical information, add/fix PubChem CIDs

  

  René Meier

  committed
  7c364d6

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Commits on Jul 1, 2019

• Unify/fix chemical information

  

  René Meier

  committed
  d59be3b

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Commits on Jun 28, 2019

• Unify/fix chemical information. Add PubChem CID and COMPTOXSID.

  

  meier-rene

  committed
  0a9ac66

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Commits on Jun 19, 2019

• Remove unsupported COMPTOX ids as pointet out in MassBank#66 MassBank#68 and MassBank#77

  

  meier-rene

  committed
  d457a03

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Commits on Jun 7, 2019

• Unify CHEBI link identifier format.

  

  René Meier

  committed
  7af1438

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• Fix chemical information.

  

  René Meier

  committed
  f87f5d7

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Commits on Jun 6, 2019

• Fix inconsistencies in chemical information MassBank#70

  

  meier-rene

  committed
  68dcfd0

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Commits on May 13, 2019

• Add COMPTOX identifier

  

  René Meier

  committed
  f887eab

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Commits on Mar 7, 2019

• Add missing INCHIKEY

  

  René Meier

  committed
  71bfc63

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Commits on Mar 4, 2019

• Remove duplicates from CH$NAME

  meier-rene

  committed
  8cc2356

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Commits on Nov 22, 2018

• Fix CH$FORMULA to ion form

  

  René Meier

  committed
  fd498bb

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Commits on Jun 27, 2018

• Reverting change to DATE

  

  René Meier

  committed
  b59e59c

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• Added COMMENT to KO002063 and KO002066

  Show description for 6574723
  schymane

  committed
  6574723

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Commits on Mar 23, 2018

• Fix PK$ANNOTATION.

  

  René Meier

  committed
  07fbd1f

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Commits on Mar 16, 2018

• Add SPLASH.

  

  René Meier

  committed
  584eea4

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• Trivial fix in MS$FOCUSED_ION: PRECURSOR_TYPE.

  

  René Meier

  committed
  6008588

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• Fix ambiguous SMILES and broken InChi.

  

  René Meier

  committed
  ac63762

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Commits on Mar 14, 2018

• Remove trailing whitespaces.

  

  René Meier

  committed
  ca2653d

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Commits on Mar 8, 2018

• Import from svn r40323

  

  meier-rene

  committed
  f7e65f1

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