diff --git a/UFZ/UF402601.txt b/UFZ/UF402601.txt
index e590c0f321e..fd8578a2b2b 100644
--- a/UFZ/UF402601.txt
+++ b/UFZ/UF402601.txt
@@ -1,25 +1,25 @@
 ACCESSION: UF402601
-RECORD_TITLE: Desethylterbutylazine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
+RECORD_TITLE: Simazine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
 DATE: 2017.01.05
 AUTHORS: Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
 LICENSE: CC BY
 COPYRIGHT: Copyright (C) 2017
 COMMENT: CONFIDENCE standard compound
-COMMENT: INTERNAL_ID 4026
-CH$NAME: Desethylterbutylazine
-CH$NAME: Terbuthylazin-desethyl
-CH$NAME: 2-N-Tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
+COMMENT: INTERNAL_ID 4041
+CH$NAME: Simazine
+CH$NAME: 6-Chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
 CH$COMPOUND_CLASS: N/A; Environmental Standard
 CH$FORMULA: C7H12ClN5
 CH$EXACT_MASS: 201.0781
-CH$SMILES: CC(C)(C)NC1=NC(Cl)=NC(N)=N1
-CH$IUPAC: InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
-CH$LINK: CAS 30125-63-4
-CH$LINK: CHEBI 83522
-CH$LINK: PUBCHEM CID:108201
-CH$LINK: INCHIKEY LMKQNTMFZLAJDV-UHFFFAOYSA-N
-CH$LINK: CHEMSPIDER 97278
-CH$LINK: COMPTOX DTXSID80184211
+CH$SMILES: CCNC1=NC(NCC)=NC(Cl)=N1
+CH$IUPAC: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
+CH$LINK: CAS 122-34-9
+CH$LINK: CHEBI 27496
+CH$LINK: KEGG C11172
+CH$LINK: PUBCHEM CID:5216
+CH$LINK: INCHIKEY ODCWYMIRDDJXKW-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 5027
+CH$LINK: COMPTOX DTXSID4021268
 AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific
 AC$INSTRUMENT_TYPE: LC-ESI-ITFT
 AC$MASS_SPECTROMETRY: MS_TYPE MS2
diff --git a/UFZ/UF402602.txt b/UFZ/UF402602.txt
index 5e8c7438ef8..b293af22292 100644
--- a/UFZ/UF402602.txt
+++ b/UFZ/UF402602.txt
@@ -1,25 +1,25 @@
 ACCESSION: UF402602
-RECORD_TITLE: Desethylterbutylazine; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
+RECORD_TITLE: Simazine; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
 DATE: 2017.01.05
 AUTHORS: Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
 LICENSE: CC BY
 COPYRIGHT: Copyright (C) 2017
 COMMENT: CONFIDENCE standard compound
-COMMENT: INTERNAL_ID 4026
-CH$NAME: Desethylterbutylazine
-CH$NAME: Terbuthylazin-desethyl
-CH$NAME: 2-N-Tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
+COMMENT: INTERNAL_ID 4041
+CH$NAME: Simazine
+CH$NAME: 6-Chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
 CH$COMPOUND_CLASS: N/A; Environmental Standard
 CH$FORMULA: C7H12ClN5
 CH$EXACT_MASS: 201.0781
-CH$SMILES: CC(C)(C)NC1=NC(Cl)=NC(N)=N1
-CH$IUPAC: InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
-CH$LINK: CAS 30125-63-4
-CH$LINK: CHEBI 83522
-CH$LINK: PUBCHEM CID:108201
-CH$LINK: INCHIKEY LMKQNTMFZLAJDV-UHFFFAOYSA-N
-CH$LINK: CHEMSPIDER 97278
-CH$LINK: COMPTOX DTXSID80184211
+CH$SMILES: CCNC1=NC(NCC)=NC(Cl)=N1
+CH$IUPAC: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
+CH$LINK: CAS 122-34-9
+CH$LINK: CHEBI 27496
+CH$LINK: KEGG C11172
+CH$LINK: PUBCHEM CID:5216
+CH$LINK: INCHIKEY ODCWYMIRDDJXKW-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 5027
+CH$LINK: COMPTOX DTXSID4021268
 AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific
 AC$INSTRUMENT_TYPE: LC-ESI-ITFT
 AC$MASS_SPECTROMETRY: MS_TYPE MS2
diff --git a/UFZ/UF402603.txt b/UFZ/UF402603.txt
index e2f27d429e5..026a1e07de1 100644
--- a/UFZ/UF402603.txt
+++ b/UFZ/UF402603.txt
@@ -1,25 +1,25 @@
 ACCESSION: UF402603
-RECORD_TITLE: Desethylterbutylazine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
+RECORD_TITLE: Simazine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
 DATE: 2017.01.05
 AUTHORS: Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
 LICENSE: CC BY
 COPYRIGHT: Copyright (C) 2017
 COMMENT: CONFIDENCE standard compound
-COMMENT: INTERNAL_ID 4026
-CH$NAME: Desethylterbutylazine
-CH$NAME: Terbuthylazin-desethyl
-CH$NAME: 2-N-Tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
+COMMENT: INTERNAL_ID 4041
+CH$NAME: Simazine
+CH$NAME: 6-Chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
 CH$COMPOUND_CLASS: N/A; Environmental Standard
 CH$FORMULA: C7H12ClN5
 CH$EXACT_MASS: 201.0781
-CH$SMILES: CC(C)(C)NC1=NC(Cl)=NC(N)=N1
-CH$IUPAC: InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
-CH$LINK: CAS 30125-63-4
-CH$LINK: CHEBI 83522
-CH$LINK: PUBCHEM CID:108201
-CH$LINK: INCHIKEY LMKQNTMFZLAJDV-UHFFFAOYSA-N
-CH$LINK: CHEMSPIDER 97278
-CH$LINK: COMPTOX DTXSID80184211
+CH$SMILES: CCNC1=NC(NCC)=NC(Cl)=N1
+CH$IUPAC: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
+CH$LINK: CAS 122-34-9
+CH$LINK: CHEBI 27496
+CH$LINK: KEGG C11172
+CH$LINK: PUBCHEM CID:5216
+CH$LINK: INCHIKEY ODCWYMIRDDJXKW-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 5027
+CH$LINK: COMPTOX DTXSID4021268
 AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific
 AC$INSTRUMENT_TYPE: LC-ESI-ITFT
 AC$MASS_SPECTROMETRY: MS_TYPE MS2
diff --git a/UFZ/UF402604.txt b/UFZ/UF402604.txt
index e67291a6a1f..69fd41fcbb8 100644
--- a/UFZ/UF402604.txt
+++ b/UFZ/UF402604.txt
@@ -1,25 +1,25 @@
 ACCESSION: UF402604
-RECORD_TITLE: Desethylterbutylazine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
+RECORD_TITLE: Simazine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
 DATE: 2017.01.05
 AUTHORS: Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
 LICENSE: CC BY
 COPYRIGHT: Copyright (C) 2017
 COMMENT: CONFIDENCE standard compound
-COMMENT: INTERNAL_ID 4026
-CH$NAME: Desethylterbutylazine
-CH$NAME: Terbuthylazin-desethyl
-CH$NAME: 2-N-Tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
+COMMENT: INTERNAL_ID 4041
+CH$NAME: Simazine
+CH$NAME: 6-Chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
 CH$COMPOUND_CLASS: N/A; Environmental Standard
 CH$FORMULA: C7H12ClN5
 CH$EXACT_MASS: 201.0781
-CH$SMILES: CC(C)(C)NC1=NC(Cl)=NC(N)=N1
-CH$IUPAC: InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
-CH$LINK: CAS 30125-63-4
-CH$LINK: CHEBI 83522
-CH$LINK: PUBCHEM CID:108201
-CH$LINK: INCHIKEY LMKQNTMFZLAJDV-UHFFFAOYSA-N
-CH$LINK: CHEMSPIDER 97278
-CH$LINK: COMPTOX DTXSID80184211
+CH$SMILES: CCNC1=NC(NCC)=NC(Cl)=N1
+CH$IUPAC: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
+CH$LINK: CAS 122-34-9
+CH$LINK: CHEBI 27496
+CH$LINK: KEGG C11172
+CH$LINK: PUBCHEM CID:5216
+CH$LINK: INCHIKEY ODCWYMIRDDJXKW-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 5027
+CH$LINK: COMPTOX DTXSID4021268
 AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific
 AC$INSTRUMENT_TYPE: LC-ESI-ITFT
 AC$MASS_SPECTROMETRY: MS_TYPE MS2