Commit 63d4f8b3 authored by Emma Schymanski's avatar Emma Schymanski
Browse files

S74 updates

Updated Anca's ref with DOI (now accepted) and added new HMMM CIDs
parent 0f640b3c
......@@ -2,29 +2,29 @@ CID,SMILES,Source_DOI,Source_Reference,Dataset_DOI,Dataset_Reference,Instrument,
71091427,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C,10.1016/j.foodchem.2021.130567,"Baesu, A., Audet, C., & Bayen, S. (2021). Evaluation of different extractions for the metabolite identification of malachite green in brook trout and shrimp. Food Chemistry, 130567. doi:10.1016/j.foodchem.2021.130567",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 10 eV,225.1386|302.1763
71091427,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C,10.1016/j.foodchem.2021.130567,"Baesu, A., Audet, C., & Bayen, S. (2021). Evaluation of different extractions for the metabolite identification of malachite green in brook trout and shrimp. Food Chemistry, 130567. doi:10.1016/j.foodchem.2021.130567",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 20 eV,195.1029|225.1386|272.1421|302.1763
71091427,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C,10.1016/j.foodchem.2021.130567,"Baesu, A., Audet, C., & Bayen, S. (2021). Evaluation of different extractions for the metabolite identification of malachite green in brook trout and shrimp. Food Chemistry, 130567. doi:10.1016/j.foodchem.2021.130567",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 40 eV,194.0957|225.1386|272.1421|301.1696
12421730,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC,"Baesu, Anca et al (submitted, under review)","Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Submitted to Current Research in Food Science (under review)",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 10 eV,211.1216
12421730,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC,"Baesu, Anca et al (submitted, under review)","Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Submitted to Current Research in Food Science (under review)",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 20 eV,107.0551|211.1216|272.1436|288.1623
12421730,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC,"Baesu, Anca et al (submitted, under review)","Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Submitted to Current Research in Food Science (under review)",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 40 eV,194.0970|211.1216|287.1540
19064224,CNC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,"Baesu, Anca et al (submitted, under review)","Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Submitted to Current Research in Food Science (under review)",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 10 eV,122.0965|147.0914
19064224,CNC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,"Baesu, Anca et al (submitted, under review)","Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Submitted to Current Research in Food Science (under review)",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 20 eV,122.0965|147.0914|184.0735
19064224,CNC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,"Baesu, Anca et al (submitted, under review)","Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Submitted to Current Research in Food Science (under review)",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 40 eV,146.9819|184.0735
12421730,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC,10.1016/j.crfs.2021.09.010,"Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Current Research in Food Science. DOI: 10.1016/j.crfs.2021.09.010",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 10 eV,211.1216
12421730,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC,10.1016/j.crfs.2021.09.010,"Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Current Research in Food Science. DOI: 10.1016/j.crfs.2021.09.010",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 20 eV,107.0551|211.1216|272.1436|288.1623
12421730,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC,10.1016/j.crfs.2021.09.010,"Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Current Research in Food Science. DOI: 10.1016/j.crfs.2021.09.010",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 40 eV,194.0970|211.1216|287.1540
19064224,CNC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,10.1016/j.crfs.2021.09.010,"Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Current Research in Food Science. DOI: 10.1016/j.crfs.2021.09.010",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 10 eV,122.0965|147.0914
19064224,CNC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,10.1016/j.crfs.2021.09.010,"Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Current Research in Food Science. DOI: 10.1016/j.crfs.2021.09.010",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 20 eV,122.0965|147.0914|184.0735
19064224,CNC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,10.1016/j.crfs.2021.09.010,"Baesu, A., Audet, C., Bayen, S. Application of non-target analysis to study the thermal transformation of malachite and leucomalachite green in brook trout and shrimp. Current Research in Food Science. DOI: 10.1016/j.crfs.2021.09.010",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF,CID 40 eV,146.9819|184.0735
18785363,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC),10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,369.1863|347.2039|315.1784|239.1263|163.0734
83757,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)CO,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,399.1968|377.2149|369.1856|359.203|345.189|337.16|315.1784|301.1628|283.1531|269.1369|239.1262|225.1099|207.1|195.0995|177.0885|163.0736|151.0728
,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)C=O,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,397.1807|375.1978|299.1476|267.1214|223.0935|163.073
156601178,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)C=O,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,397.1807|375.1978|299.1476|267.1214|223.0935|163.073
19596821,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,325.1605|303.1775|271.1524|257.1364|241.1411|227.1259|195.0999|165.089|151.0731
20318181,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(CO)CO,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,385.1803|363.1984|337.16|331.1727|315.178|283.1521|255.1208|239.1258|207.0993|177.0889|163.0732
,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O)CO,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,383.165|321.129
,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O),10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,375.1357|353.1551|321.1291|299.147|255.1209|223.0943|193.0841|179.0675|165.0883|151.0728
156601175,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O)CO,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,383.165|321.129
156601177,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O),10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,375.1357|353.1551|321.1291|299.147|255.1209|223.0943|193.0841|179.0675|165.0883|151.0728
20067384,COCN(COC)C1=NC(=NC(=N1)N(COC))N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,281.134|259.1529|227.1262|195.0997|165.0891|151.073
20463987,COCN(COC)C1=NC(=NC(=N1)N(COC)CO)N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,311.1452|281.1338|271.1514|249.1086|227.126|195.0999|165.0892|151.073
,COCN(COC)C1=NC(=NC(=N1)N(COC)C=O)N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,331.1093|309.1284|287.146|277.0651|255.1196|211.094|193.0829|151.073
156601179,COCN(COC)C1=NC(=NC(=N1)N(COC)C=O)N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,331.1093|309.1284|287.146|277.0651|255.1196|211.094|193.0829|151.073
20484942,COCN(COC)C1=NC(=NC(=N1)N(COC)CO)N(CO)CO,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,371.165|349.1836|323.1435|261.1077|163.0731
,COCN(COC)C1=NC(=NC(=N1)N(C=O)CO)N(COC),10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,339.1388|309.1293|277.1027
,COCN(COC)C1=NC(=NC(=N1)N(C=O)C=O)N(COC),10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,337.1238|315.145
156601173,COCN(COC)C1=NC(=NC(=N1)N(C=O)CO)N(COC),10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,339.1388|309.1293|277.1027
156601180,COCN(COC)C1=NC(=NC(=N1)N(C=O)C=O)N(COC),10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,337.1238|315.145
19596820,COCN(COC)C1=NC(=NC(=N1)N)N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,237.1082|215.1263|201.1109|151.0727|139.0735
53965793,COCN(COC)C1=NC(=NC(=N1)N(CO))N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,267.1181|245.136|237.1073|205.0806|165.0883|151.0726
,COCN(COC)C1=NC(=NC(=N1)N(C=O))N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,265.1035|243.1208|211.0938|181.0839|167.0676|153.089|139.0729
,COCN(COC)C1=NC(=NC(=N1)N(CO)CO)N(C=O),10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,325.1223|277.102|255.1201|179.067
156601176,COCN(COC)C1=NC(=NC(=N1)N(C=O))N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,265.1035|243.1208|211.0938|181.0839|167.0676|153.089|139.0729
156601174,COCN(COC)C1=NC(=NC(=N1)N(CO)CO)N(C=O),10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,325.1223|277.102|255.1201|179.067
77943,COCNC1=NC(=NC(=N1)N)N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,171.0994|139.0728
7955,NC1=NC(=NC(=N1)N)N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,127.0733|85.0517
70300,OCNC1=NC(=NC(=N1)N)N,10.1016/j.watres.2019.114973,"Alhelou R, Seiwert B, Reemtsma T (2019) Water Research, 165:114973",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,LC-ESI(+)-QTOF (G2 XS),MSE 15-35 eV,157.0832|139.0729|127.0732
......
......@@ -33,21 +33,21 @@ PubChem_CID,Name,SMILES,InChIKey,Synonym,DTXSID
62479,Hexa(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC,BNCADMBVWNPPIZ-UHFFFAOYSA-N,hexamethoxymethylmelamine (HMMM),DTXSID9027520
18785363,Penta(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC),LEVZZYOVVQKGOM-UHFFFAOYSA-N,PMMM ,DTXSID30596249
83757,HMMM TP377,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)CO,JQALNNOQTGZTJZ-UHFFFAOYSA-N,HMMM TP377,DTXSID90930024
,HMMM TP375,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)C=O,UPFQVJAGBXCQOE-UHFFFAOYSA-N,HMMM TP375,
156601178,HMMM TP375,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)C=O,UPFQVJAGBXCQOE-UHFFFAOYSA-N,HMMM TP375,
19596821,Tetra(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N,GDXYMSLKTXSGBS-UHFFFAOYSA-N,TetraMMM ,DTXSID30598925
20318181,HMMM TP363,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(CO)CO,GSRBPSZSSSOAHJ-UHFFFAOYSA-N,HMMM TP363,
,HMMM TP383,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O)CO,PRDOSDUGXKTFET-UHFFFAOYSA-N,HMMM TP383,
,HMMM TP353,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O),TXFCZCYWLIIXLR-UHFFFAOYSA-N,HMMM TP353,
156601175,HMMM TP383,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O)CO,PRDOSDUGXKTFET-UHFFFAOYSA-N,HMMM TP383,
156601177,HMMM TP353,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O),TXFCZCYWLIIXLR-UHFFFAOYSA-N,HMMM TP353,
20067384,Tri(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N(COC))N,QRUPLLGJMSYASL-UHFFFAOYSA-N,TriMMM ,
20463987,HMMM TP311,COCN(COC)C1=NC(=NC(=N1)N(COC)CO)N,QMMGPJGNVGPLON-UHFFFAOYSA-N,HMMM TP311,
,HMMM TP287,COCN(COC)C1=NC(=NC(=N1)N(COC)C=O)N,VASSCAPEVQZJKA-UHFFFAOYSA-N,HMMM TP287,
156601179,HMMM TP287,COCN(COC)C1=NC(=NC(=N1)N(COC)C=O)N,VASSCAPEVQZJKA-UHFFFAOYSA-N,HMMM TP287,
20484942,HMMM TP349,COCN(COC)C1=NC(=NC(=N1)N(COC)CO)N(CO)CO,JFPDYZRUBOUZEV-UHFFFAOYSA-N,HMMM TP349,
,HMMM TP339,COCN(COC)C1=NC(=NC(=N1)N(C=O)CO)N(COC),DSPHGRWZRGBFBS-UHFFFAOYSA-N,HMMM TP339,
,HMMM TP315,COCN(COC)C1=NC(=NC(=N1)N(C=O)C=O)N(COC),ZEDNIDNOYZSSMO-UHFFFAOYSA-N,HMMM TP315,
156601173,HMMM TP339,COCN(COC)C1=NC(=NC(=N1)N(C=O)CO)N(COC),DSPHGRWZRGBFBS-UHFFFAOYSA-N,HMMM TP339,
156601180,HMMM TP315,COCN(COC)C1=NC(=NC(=N1)N(C=O)C=O)N(COC),ZEDNIDNOYZSSMO-UHFFFAOYSA-N,HMMM TP315,
19596820,Bis(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N)N,ZZQSSGSSJLWADI-UHFFFAOYSA-N,DiMMM ,
53965793,HMMM TP245,COCN(COC)C1=NC(=NC(=N1)N(CO))N,JOCMJNZFQXOCOZ-UHFFFAOYSA-N,HMMM TP245,
,HMMM TP243,COCN(COC)C1=NC(=NC(=N1)N(C=O))N,QJQMZQYWVWCKJV-UHFFFAOYSA-N,HMMM TP243,
,HMMM TP325,COCN(COC)C1=NC(=NC(=N1)N(CO)CO)N(C=O),FEWJLIJJJNSFNR-UHFFFAOYSA-N,HMMM TP325,
156601176,HMMM TP243,COCN(COC)C1=NC(=NC(=N1)N(C=O))N,QJQMZQYWVWCKJV-UHFFFAOYSA-N,HMMM TP243,
156601174,HMMM TP325,COCN(COC)C1=NC(=NC(=N1)N(CO)CO)N(C=O),FEWJLIJJJNSFNR-UHFFFAOYSA-N,HMMM TP325,
77943,Methoxymethylmelamine,COCNC1=NC(=NC(=N1)N)N,KFVIYKFKUYBKTP-UHFFFAOYSA-N,MonoMMM ,DTXSID20962611
7955,Melamine,NC1=NC(=NC(=N1)N)N,JDSHMPZPIAZGSV-UHFFFAOYSA-N,Melamine ,DTXSID6020802
70300,"[(4,6-Diamino-1,3,5-triazin-2-yl)amino]methanol",OCNC1=NC(=NC(=N1)N)N,MBHRHUJRKGNOKX-UHFFFAOYSA-N,HMMM TP157,DTXSID30918200
......
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