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Name
Formula / Structure
ExactMass
ID
PRP_M358b
4 spectra
C15H17Cl2N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
357.06470
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240201
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240202
LC-ESI-QFT; MS2; CE: 40; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240203
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240204
PRZ
4 spectra
C15H16Cl3N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
375.03079
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200001
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200002
LC-ESI-QFT; MS2; CE: 40; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200003
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200004
PRZ_M239
5 spectra
C8H8Cl3NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.96710
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201001
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201002
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201003
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201004
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201005
PRZ_M282
5 spectra
C11H14Cl3NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.01410
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200101
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200102
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200103
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200104
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200105
PRZ_M298
5 spectra
C11H14Cl3NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.00900
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200801
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200802
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200803
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200804
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200805
PRZ_M310
5 spectra
C12H14Cl3NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
309.00900
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201501
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201502
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201503
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201504
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201505
PRZ_M323a
4 spectra
C12H12Cl3NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.98831
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200401
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200402
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200403
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200404
PRZ_M323b
4 spectra
C12H12Cl3NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.98831
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200301
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200302
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200303
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200304
PRZ_M325
4 spectra
C12H15Cl3N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.01990
LC-ESI-QFT; MS2; CE: 35; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200701
LC-ESI-QFT; MS2; CE: 40; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200702
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200703
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200704
PRZ_M353
5 spectra
C13H15Cl3N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.01480
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200201
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200202
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200203
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200204
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200205
PRZ_M382
5 spectra
C14H18Cl3N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
381.04141
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201201
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201202
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201203
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201204
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201205
PRZ_M392a
4 spectra
C15H16Cl3N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
391.02570
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200601
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200602
LC-ESI-QFT; MS2; CE: 40; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200603
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200604
PRZ_M392b
4 spectra
C15H16Cl3N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
391.02570
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200501
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200502
LC-ESI-QFT; MS2; CE: 40; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200503
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200504
PRZ_M429
5 spectra
C15H19Cl3N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.01309
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200901
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200902
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200903
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200904
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET200905
PRZ_M435
5 spectra
C17H18Cl3N3O3
417.04129
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201101
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201102
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201103
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201104
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201105
PRZ_M469
4 spectra
C15H16Cl3N3O6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
470.98251
LC-ESI-QFT; MS2; CE: 20; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201451
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201452
LC-ESI-QFT; MS2; CE: 40; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201453
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201454
PRZ_M477
5 spectra
C18H22Cl2N4O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
476.06879
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201701
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201702
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201703
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201704
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201705
PRZ_M573
5 spectra
C19H23Cl3N4O8S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
572.03021
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201801
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201802
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201803
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201804
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET201805
PRZ_M632a
5 spectra
C21H26Cl3N3O11S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
633.03540
LC-ESI-QFT; MS2; CE: 20; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201351
LC-ESI-QFT; MS2; CE: 40; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201352
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201353
LC-ESI-QFT; MS2; CE: 80; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201354
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201355
PRZ_M632b
5 spectra
C21H26Cl3N3O11S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
633.03540
LC-ESI-QFT; MS2; CE: 20; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201651
LC-ESI-QFT; MS2; CE: 40; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201652
LC-ESI-QFT; MS2; CE: 6; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201653
LC-ESI-QFT; MS2; CE: 80; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201654
LC-ESI-QFT; MS2; CE: 9; R=35000; [M-H]-
MSBNK-Eawag_Additional_Specs-ET201655
PYR_166.1340_2.9
1 spectrum
C9H15N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.12660
LC-ESI-QFT; MS2; CE: (160-0.41mz or 15) NCE; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET171103
PYR_272.1759_11.0
6 spectra
C16H21N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.16849
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170201
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170202
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170203
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170204
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170205
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170206
PYR_272.1759_8.8
6 spectra
C16H21N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.16849
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170306
PYR_273.1235_11.5
6 spectra
C15H16N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.11609
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170401
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170402
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170403
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170404
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170405
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170406
PYR_286.1915_11.5
5 spectra
C17H23N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
285.18411
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170001
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170002
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170003
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170004
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET170005
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