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10,847 Hit.
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Name
Formula / Structure
ExactMass
ID
Protoporphyrin, disodium salt
4 spectra
C34H32N4Na2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
606.63812
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01630
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01631
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01632
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01629
Protriptyline
5 spectra
C19H21N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.16739
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000283
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000282
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000281
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000280
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000279
PRP_M256
4 spectra
C10H7Cl2N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.99660
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240401
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240402
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240403
LC-ESI-QFT; MS2; CE: 80; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240404
PRP_M258
5 spectra
C10H9Cl2N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
257.01230
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240301
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240302
LC-ESI-QFT; MS2; CE: 40; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240303
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240304
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240305
PRP_M358a
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-ET240101
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240102
LC-ESI-QFT; MS2; CE: 40; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240103
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag_Additional_Specs-ET240104
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
Prunetin
5 spectra
C16H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.06851
LC-ESI-QTOF; MS
MSBNK-BS-BS003054
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003052
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003053
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003056
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003055
Prunin
15 spectra
C21H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
434.12131
LC-ESI-ITTOF; MS2; [M-H]-
MSBNK-Univ_Toyama-TY000162
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000160
LC-ESI-ITTOF; MS; [M-H]-
MSBNK-Univ_Toyama-TY000161
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000414
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020069
LC-ESI-QTOF; MS2; CE:30 V; [M+H-C6H10O5]+
MSBNK-RIKEN-PR040156
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR040155
LC-ESI-QTOF; MS2; CE:30 V; [M-H-C6H10O5}-
MSBNK-RIKEN-PR040152
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040151
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H-C6H10O5]+
MSBNK-RIKEN-PR040154
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR040153
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100249
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H-C6H10O5}-
MSBNK-RIKEN-PR040150
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040149
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100671
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
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