Merge branch 'release-2020.11' into main

MassBank · Nov 24, 2020 · e466814 · e466814
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diff --git a/AAFC/AC000425.txt b/AAFC/AC000425.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/AAFC/AC000426.txt b/AAFC/AC000426.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/AAFC/AC000427.txt b/AAFC/AC000427.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/AAFC/AC000428.txt b/AAFC/AC000428.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/AAFC/AC000429.txt b/AAFC/AC000429.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/AAFC/AC000430.txt b/AAFC/AC000430.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/AAFC/AC000431.txt b/AAFC/AC000431.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/AAFC/AC000432.txt b/AAFC/AC000432.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/AAFC/AC000433.txt b/AAFC/AC000433.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/AAFC/AC000434.txt b/AAFC/AC000434.txt
@@ -5,7 +5,6 @@ AUTHORS: Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada
 LICENSE: CC BY-SA
 COPYRIGHT: Copyright (C) 2017
 PUBLICATION: Renaud, J. B.; Sumarah, M. W. Data Independent Acquisition-Digital Archiving Mass Spectrometry: Application to Single Kernel Mycotoxin Analysis of Fusarium Graminearum Infected Maize. Analytical and Bioanalytical Chemistry 2016, 408 (12), 3083–91. DOI:10.1007/s00216-016-9391-5
-COMMENT: CONFIDENCE
 CH$NAME: Citrinin
 CH$NAME: Antimycin
 CH$NAME: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

diff --git a/Athens_Univ/AU227006.txt b/Athens_Univ/AU227006.txt
@@ -24,7 +24,7 @@ AC$MASS_SPECTROMETRY: MS_TYPE MS2
 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
 AC$MASS_SPECTROMETRY: IONIZATION ESI
 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
-AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 18.1-27.2 eV 
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 18.1-27.2 eV
 AC$MASS_SPECTROMETRY: RESOLUTION 35000
 AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min

diff --git a/Athens_Univ/AU229106.txt b/Athens_Univ/AU229106.txt
@@ -26,7 +26,7 @@ AC$MASS_SPECTROMETRY: MS_TYPE MS2
 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
 AC$MASS_SPECTROMETRY: IONIZATION ESI
 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
-AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 20.5-30.7 eV 
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 20.5-30.7 eV
 AC$MASS_SPECTROMETRY: RESOLUTION 35000
 AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min

diff --git a/Athens_Univ/AU232957.txt b/Athens_Univ/AU232957.txt
@@ -6,7 +6,7 @@ LICENSE: CC BY
 COPYRIGHT: Copyright (C) 2019 Department of Chemistry, University of Athens
 COMMENT: CONFIDENCE standard compound
 COMMENT: INTERNAL_ID 2329
-CH$NAME: 2-Amido-3,5,6-trichloro-4-cyanobenzenesulfonic acid 
+CH$NAME: 2-Amido-3,5,6-trichloro-4-cyanobenzenesulfonic acid
 CH$COMPOUND_CLASS: N/A; Environmental Standard
 CH$FORMULA: C8H3Cl3N2O4S
 CH$EXACT_MASS: 327.8879106

diff --git a/Athens_Univ/AU232958.txt b/Athens_Univ/AU232958.txt
@@ -6,7 +6,7 @@ LICENSE: CC BY
 COPYRIGHT: Copyright (C) 2019 Department of Chemistry, University of Athens
 COMMENT: CONFIDENCE standard compound
 COMMENT: INTERNAL_ID 2329
-CH$NAME: 2-Amido-3,5,6-trichloro-4-cyanobenzenesulfonic acid 
+CH$NAME: 2-Amido-3,5,6-trichloro-4-cyanobenzenesulfonic acid
 CH$COMPOUND_CLASS: N/A; Environmental Standard
 CH$FORMULA: C8H3Cl3N2O4S
 CH$EXACT_MASS: 327.8879106

diff --git a/Athens_Univ/AU232959.txt b/Athens_Univ/AU232959.txt
@@ -6,7 +6,7 @@ LICENSE: CC BY
 COPYRIGHT: Copyright (C) 2019 Department of Chemistry, University of Athens
 COMMENT: CONFIDENCE standard compound
 COMMENT: INTERNAL_ID 2329
-CH$NAME: 2-Amido-3,5,6-trichloro-4-cyanobenzenesulfonic acid 
+CH$NAME: 2-Amido-3,5,6-trichloro-4-cyanobenzenesulfonic acid
 CH$COMPOUND_CLASS: N/A; Environmental Standard
 CH$FORMULA: C8H3Cl3N2O4S
 CH$EXACT_MASS: 327.8879106

diff --git a/Athens_Univ/AU232960.txt b/Athens_Univ/AU232960.txt
@@ -6,7 +6,7 @@ LICENSE: CC BY
 COPYRIGHT: Copyright (C) 2019 Department of Chemistry, University of Athens
 COMMENT: CONFIDENCE standard compound
 COMMENT: INTERNAL_ID 2329
-CH$NAME: 2-Amido-3,5,6-trichloro-4-cyanobenzenesulfonic acid 
+CH$NAME: 2-Amido-3,5,6-trichloro-4-cyanobenzenesulfonic acid
 CH$COMPOUND_CLASS: N/A; Environmental Standard
 CH$FORMULA: C8H3Cl3N2O4S
 CH$EXACT_MASS: 327.8879106

diff --git a/Athens_Univ/AU406651.txt b/Athens_Univ/AU406651.txt
@@ -34,7 +34,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 11.2 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 265.1468
 MS$FOCUSED_ION: PRECURSOR_M/Z 265.1479

diff --git a/Athens_Univ/AU406652.txt b/Athens_Univ/AU406652.txt
@@ -34,7 +34,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 11.2 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 265.147
 MS$FOCUSED_ION: PRECURSOR_M/Z 265.1479

diff --git a/Athens_Univ/AU406653.txt b/Athens_Univ/AU406653.txt
@@ -34,7 +34,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 11.2 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 265.1471
 MS$FOCUSED_ION: PRECURSOR_M/Z 265.1479

diff --git a/Athens_Univ/AU406656.txt b/Athens_Univ/AU406656.txt
@@ -34,7 +34,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 11.2 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 265.1482
 MS$FOCUSED_ION: PRECURSOR_M/Z 265.1479

diff --git a/Athens_Univ/AU406751.txt b/Athens_Univ/AU406751.txt
@@ -30,7 +30,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 2.99 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 201.9802
 MS$FOCUSED_ION: PRECURSOR_M/Z 201.9816

diff --git a/Athens_Univ/AU406752.txt b/Athens_Univ/AU406752.txt
@@ -30,7 +30,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 2.99 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 201.9804
 MS$FOCUSED_ION: PRECURSOR_M/Z 201.9816

diff --git a/Athens_Univ/AU406753.txt b/Athens_Univ/AU406753.txt
@@ -30,7 +30,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 2.99 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 201.981
 MS$FOCUSED_ION: PRECURSOR_M/Z 201.9816

diff --git a/Athens_Univ/AU406756.txt b/Athens_Univ/AU406756.txt
@@ -30,7 +30,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 2.99 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 201.9821
 MS$FOCUSED_ION: PRECURSOR_M/Z 201.9816

diff --git a/Athens_Univ/AU406851.txt b/Athens_Univ/AU406851.txt
@@ -32,7 +32,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 1.3 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 172.99
 MS$FOCUSED_ION: PRECURSOR_M/Z 172.9914

diff --git a/Athens_Univ/AU406852.txt b/Athens_Univ/AU406852.txt
@@ -32,7 +32,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 1.3 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 172.9901
 MS$FOCUSED_ION: PRECURSOR_M/Z 172.9914

diff --git a/Athens_Univ/AU406856.txt b/Athens_Univ/AU406856.txt
@@ -32,7 +32,7 @@ AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
 AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
 AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
 AC$CHROMATOGRAPHY: RETENTION_TIME 1.3 min
-AC$CHROMATOGRAPHY: SOLVENT A 90:10 methanol:water with 5mM ammonium acetate
+AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 5mM ammonium acetate
 AC$CHROMATOGRAPHY: SOLVENT B methanol with 5mM ammonium acetate
 MS$FOCUSED_ION: BASE_PEAK 172.9913
 MS$FOCUSED_ION: PRECURSOR_M/Z 172.9914

diff --git a/BS/BS003723.txt b/BS/BS003723.txt
@@ -10,7 +10,7 @@ CH$EXACT_MASS: 416.1107
 CH$SMILES: C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(OC)C=C3)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O
 CH$IUPAC: InChI=1S/C21H20O9/c1-27-12-4-2-10(3-5-12)15-8-13(23)18-16(29-15)6-11(22)7-17(18)30-21-20(26)19(25)14(24)9-28-21/h2-8,14,19-22,24-26H,9H2,1H3/t14-,19+,20-,21+/m1/s1
 CH$LINK: INCHIKEY NCCOYBTYDAMVTO-ZQEFQCJFSA-N
-CH$LINK: PUBCHEM CID:134751718 
+CH$LINK: PUBCHEM CID:134751718
 AC$INSTRUMENT: Bruker impact HD
 AC$INSTRUMENT_TYPE: LC-ESI-QTOF
 AC$MASS_SPECTROMETRY: MS_TYPE MS2

diff --git a/Fukuyama_Univ/FU000019.txt b/Fukuyama_Univ/FU000019.txt
@@ -11,7 +11,7 @@ CH$EXACT_MASS: 869.30123
 CH$SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
 CH$IUPAC: InChI=1S/C32H55NO26/c1-7(38)33-13-18(43)25(11(5-37)52-28(13)50)57-31-23(48)20(45)16(41)12(56-31)6-51-29-24(49)26(17(42)10(4-36)53-29)58-32-27(21(46)15(40)9(3-35)55-32)59-30-22(47)19(44)14(39)8(2-34)54-30/h8-32,34-37,39-50H,2-6H2,1H3,(H,33,38)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-/m1/s1
 CH$LINK: INCHIKEY PCXILZGGAZMMMY-UPCDGGJSSA-N
-CH$LINK: PUBCHEM CID:137628487 
+CH$LINK: PUBCHEM CID:137628487
 CH$LINK: CHEMSPIDER 24606100
 CH$LINK: KEGG G06977
 AC$INSTRUMENT: 2695 HPLC Quadro Micro API, Waters

diff --git a/Fukuyama_Univ/FU000020.txt b/Fukuyama_Univ/FU000020.txt
@@ -11,7 +11,7 @@ CH$EXACT_MASS: 869.30123
 CH$SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
 CH$IUPAC: InChI=1S/C32H55NO26/c1-7(38)33-13-18(43)25(11(5-37)52-28(13)50)57-31-23(48)20(45)16(41)12(56-31)6-51-29-24(49)26(17(42)10(4-36)53-29)58-32-27(21(46)15(40)9(3-35)55-32)59-30-22(47)19(44)14(39)8(2-34)54-30/h8-32,34-37,39-50H,2-6H2,1H3,(H,33,38)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-/m1/s1
 CH$LINK: INCHIKEY PCXILZGGAZMMMY-UPCDGGJSSA-N
-CH$LINK: PUBCHEM CID:137628487 
+CH$LINK: PUBCHEM CID:137628487
 CH$LINK: CHEMSPIDER 24606100
 CH$LINK: KEGG G06977
 AC$INSTRUMENT: 2695 HPLC Quadro Micro API, Waters

diff --git a/Fukuyama_Univ/FU000021.txt b/Fukuyama_Univ/FU000021.txt
@@ -11,7 +11,7 @@ CH$EXACT_MASS: 869.30123
 CH$SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
 CH$IUPAC: InChI=1S/C32H55NO26/c1-7(38)33-13-18(43)25(11(5-37)52-28(13)50)57-31-23(48)20(45)16(41)12(56-31)6-51-29-24(49)26(17(42)10(4-36)53-29)58-32-27(21(46)15(40)9(3-35)55-32)59-30-22(47)19(44)14(39)8(2-34)54-30/h8-32,34-37,39-50H,2-6H2,1H3,(H,33,38)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-/m1/s1
 CH$LINK: INCHIKEY PCXILZGGAZMMMY-UPCDGGJSSA-N
-CH$LINK: PUBCHEM CID:137628487 
+CH$LINK: PUBCHEM CID:137628487
 CH$LINK: CHEMSPIDER 24606100
 CH$LINK: KEGG G06977
 AC$INSTRUMENT: 2695 HPLC Quadro Micro API, Waters

diff --git a/Fukuyama_Univ/FU000022.txt b/Fukuyama_Univ/FU000022.txt
@@ -11,7 +11,7 @@ CH$EXACT_MASS: 869.30123
 CH$SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
 CH$IUPAC: InChI=1S/C32H55NO26/c1-7(38)33-13-18(43)25(11(5-37)52-28(13)50)57-31-23(48)20(45)16(41)12(56-31)6-51-29-24(49)26(17(42)10(4-36)53-29)58-32-27(21(46)15(40)9(3-35)55-32)59-30-22(47)19(44)14(39)8(2-34)54-30/h8-32,34-37,39-50H,2-6H2,1H3,(H,33,38)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-/m1/s1
 CH$LINK: INCHIKEY PCXILZGGAZMMMY-UPCDGGJSSA-N
-CH$LINK: PUBCHEM CID:137628487 
+CH$LINK: PUBCHEM CID:137628487
 CH$LINK: CHEMSPIDER 24606100
 CH$LINK: KEGG G06977
 AC$INSTRUMENT: 2695 HPLC Quadro Micro API, Waters