SE61:/

Sample Set Information

ID	SE61
Title	LC-MS analysis of parsley
Description	Comprehensive analysis of metabolites in parsley (Petroselium crispum, Paramount) was performed by several combination of sample preparation and analytical conditions. Parsley was hydroponically grown in a greenhouse (S11-S13) or a cultivation shelf (S21-S26) using control medium and stable isotope (15N or 34S)-containing medium.
Authors	Sakurai N, Suda K (Kazusa DNA Research Insitute)
Reference	Akimoto N, Ara T, Nakajima D, Suda K, Ikeda C, Takahashi S, Muneto R, Yamada M, Suzuki H, Shibata D and Sakurai N (2017) FlavonoidSearch: A system for comprehensive flavonoid annotation by mass spectrometry. Scientific Reports 7: 1243
Comment

A part of data is used in this article.

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• SE61 : [ LC-MS analysis of parsley ]
  • S01 : [ Mock for greenhouse grown parsley ]
    • M01 : [ ESI Positive, Method1, Replication 1 ]
    • M02 : [ ESI Positive, Method1, Replication 2 ]
    • M03 : [ ESI Positive, Method1, Replication 3 ]
    • M11 : [ ESI Negative, Method1, Replication 1 ]
    • M12 : [ ESI Negative, Method1, Replication 2 ]
    • M13 : [ ESI Negative, Method1, Replication 3 ]
  • S02 : [ Mock for cultivation shelf grown parsley ]
    • M01 : [ ESI Positive, Method1, Replication 1 ]
    • M02 : [ ESI Positive, Method1, Replication 2 ]
    • M03 : [ ESI Positive, Method1, Replication 3 ]
    • M04 : [ ESI Positive, Method1, Replication 4 ]
    • M11 : [ ESI Negative, Method1, Replication 1 ]
    • M12 : [ ESI Negative, Method1, Replication 2 ]
    • M13 : [ ESI Negative, Method1, Replication 3 ]
  • S11 : [ Shoot of greenhouse grown parsley ]
    • M001 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M002 : [ Method 2: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M003 : [ Method 3: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M014 : [ Method 4: ESI Positive, Data dependent MS2 scan (FT, IT) ]
      • D1 : [ Peak detection using PowerGet ]
    • M015 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M016 : [ Method 6: ESI Positive, Data dependent MS2 scan (FT, FT) ]
    • M101 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M102 : [ Method 2: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M103 : [ Method 3: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M114 : [ Method 4: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M115 : [ Method 5: ESI Negative, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M116 : [ Method 6: ESI Negative, Data dependent MS2 scan (FT, FT) ]
  • S12 : [ Shoot of greenhouse grown parsley (15N labeled) ]
    • M001 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M002 : [ Method 2: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M003 : [ Method 3: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M014 : [ Method 4: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M015 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M016 : [ Method 6: ESI Positive, Data dependent MS2 scan (FT, FT) ]
    • M101 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M102 : [ Method 2: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M103 : [ Method 3: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M114 : [ Method 4: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M115 : [ Method 5: ESI Negative, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M116 : [ Method 6: ESI Negative, Data dependent MS2 scan (FT, FT) ]
  • S13 : [ Shoot of greenhouse grown parsley (34S labeled) ]
    • M001 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M002 : [ Method 2: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M003 : [ Method 3: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M014 : [ Method 4: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M015 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M016 : [ Method 6: ESI Positive, Data dependent MS2 scan (FT, FT) ]
    • M101 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M102 : [ Method 2: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M103 : [ Method 3: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M114 : [ Method 4: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M115 : [ Method 5: ESI Negative, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M116 : [ Method 6: ESI Negative, Data dependent MS2 scan (FT, FT) ]
  • S21 : [ Shoot of cultivation shelf grown parsley ]
    • M001 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M002 : [ Method 2: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M003 : [ Method 3: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M004 : [ Method 4: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M011 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
      • D1 : [ Data analysis using PowerGetBatch ]
    • M015 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
      • D1 : [ PowerGetBatch, FlavonoidSearch ]
    • M016 : [ Method 6: ESI Positive, Data dependent MS2 scan (FT, FT) ]
    • M102 : [ Method 2: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M103 : [ Method 3: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M104 : [ Method 4: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M111 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M115 : [ Method 5: ESI Negative, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M116 : [ Method 6: ESI Negative, Data dependent MS2 scan (FT, FT) ]
  • S22 : [ Shoot of cultivation shelf grown parsley (15N labeled) ]
    • M001 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M014 : [ Method 4: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M015 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M111 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M112 : [ Method 2: ESI Negative, Data dependent MS2 scan (FT, IT) ]
  • S23 : [ Shoot of cultivation shelf grown parsley (34S labeled) ]
    • M001 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M014 : [ Method 4: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M015 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M111 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M112 : [ Method 2: ESI Negative, Data dependent MS2 scan (FT, IT) ]
  • S24 : [ Root of cultivation shelf grown parsley ]
    • M001 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M002 : [ Method 2: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M003 : [ Method 3: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M004 : [ Method 4: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M011 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M015 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M016 : [ Method 6: ESI Positive, Data dependent MS2 scan (FT, FT) ]
    • M102 : [ Method 2: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M103 : [ Method 3: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M104 : [ Method 4: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M111 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M115 : [ Method 5: ESI Negative, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M116 : [ Method 6: ESI Negative, Data dependent MS2 scan (FT, FT) ]
  • S25 : [ Root of cultivation shelf grown parsley (15N labeled) ]
    • M001 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M014 : [ Method 4: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M015 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M111 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M112 : [ Method 2: ESI Negative, Data dependent MS2 scan (FT, IT) ]
  • S26 : [ Root of cultivation shelf grown parsley (34S labeled) ]
    • M001 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M014 : [ Method 4: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    • M015 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    • M111 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    • M112 : [ Method 2: ESI Negative, Data dependent MS2 scan (FT, IT) ]
  • SS1 : [ Cultivation in a greenhouse ]
  • SS2 : [ Cultivation in a cultivation shelf ]
  • MS1 : [ LC-FT-MS, ESI, Positive (method 1) ]
  • MS2 : [ LC-FT-MS, ESI, Positive (method 2) ]
  • MS3 : [ LC-FT-MS, ESI, Positive (method 3) ]
  • MS4 : [ LC-FT-MS, ESI, Positive (method 4) ]
  • MS5 : [ LC-FT-MS, ESI, Positive (method 5) ]
  • MS6 : [ LC-FT-MS, ESI, Positive (method 6) ]
  • MS11 : [ LC-FT-MS, ESI, Negative (method 1) ]
  • MS12 : [ LC-FT-MS, ESI, Negative (method 2) ]
  • MS13 : [ LC-FT-MS, ESI, Negative (method 3) ]
  • MS14 : [ LC-FT-MS, ESI, Negative (method 4) ]
  • MS15 : [ LC-FT-MS, ESI, Negative (method 5) ]
  • MS16 : [ LC-FT-MS, ESI, Negative (method 6) ]
  • DS1 : [ PowerGetBatch 1: manual curation, MSn from raw ]
  • DS2 : [ PowerGetBatch 2: manual curation, MSn from raw, FlavonoidSearch ]
  • DS3 : [ PowerGetBatch 3: manual curation ]
  • AM1 : [ Auto-annotation by MFSearcher ]
  • AM2 : [ Auto-annotation by FlavonoidSearch ]