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Instrument Type:
LC-ESI-ITFT
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Results :
20,038 Hit.
( 1,316 - 1,621 Displayed )
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( Total
71
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Results End
Name
Formula / Structure
ExactMass
ID
4-Isopropylaniline
18 spectra
C9H13N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.10480
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA005208
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA005202
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA005209
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA005203
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA005214
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA005201
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF414503
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA005210
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA005204
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414504
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA005211
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA005205
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA005212
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA005206
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF414502
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA005213
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA005207
4-Methoxy-3-indolylmethyl glucosinolate
18 spectra
C17H22N2O10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
478.07159
LC-ESI-ITFT; MS2; HCD; CE 10.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000541
LC-ESI-ITFT; MS2; HCD; CE 15.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000532
LC-ESI-ITFT; MS2; HCD; CE 20.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000536
LC-ESI-ITFT; MS2; HCD; CE 25.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000533
LC-ESI-ITFT; MS2; HCD; CE 30.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000537
LC-ESI-ITFT; MS2; HCD; CE 35.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000535
LC-ESI-ITFT; MS2; HCD; CE 40.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000539
LC-ESI-ITFT; MS2; HCD; CE 45.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000538
LC-ESI-ITFT; MS2; HCD; CE 5.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000534
LC-ESI-ITFT; MS2; HCD; CE 50.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000540
LC-ESI-ITFT; MS2; HCD; CE 55.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000529
LC-ESI-ITFT; MS2; HCD; CE 60.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000526
LC-ESI-ITFT; MS2; HCD; CE 65.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000524
LC-ESI-ITFT; MS2; HCD; CE 70.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000531
LC-ESI-ITFT; MS2; HCD; CE 75.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000528
LC-ESI-ITFT; MS2; HCD; CE 80.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000527
LC-ESI-ITFT; MS2; HCD; CE 85.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000530
LC-ESI-ITFT; MS2; HCD; CE 90.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000525
4-Methyl-1H-benzotriazole
3 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW100103
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW100102
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW100104
4-methyl-2-oxopentanoic acid
1 spectrum
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.06300
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML001951
4-Methylbenzotriazole
1 spectrum
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00118
4-Methylbenzylidene camphor
9 spectra
C18H22O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.16707
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA029001AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA029003B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA029005070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA029011C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA029013D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0290155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0290213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0290237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA029025AF82PH
4-Methylmorpholine-N-oxide
6 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA278511C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA278513D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2785155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA2785213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA2785237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA278525AF82PH
4-Methylumbelliferylglucuronide
5 spectra
C16H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.07944
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000020
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000021
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000022
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000023
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000024
4-Nitroquinoline-1-oxide
6 spectra
C9H6N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.03784
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA248201AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA248203B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA248205070APH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA2482213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA2482237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA248225AF82PH
4-Phenyl-3-buten-2-one
55 spectra
C10H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.07320
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000797
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001689
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001809
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001927
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002043
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001691
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001811
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001929
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002045
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001693
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001813
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001931
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002047
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000798
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000927
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000799
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000928
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000800
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000929
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000801
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000930
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000931
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001051
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001050
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001178
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001053
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001177
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001052
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001180
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001179
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001305
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001430
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001054
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001565
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001181
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001307
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001432
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001304
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001429
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001567
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001564
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001690
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001306
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001431
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001810
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001928
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002044
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001566
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001692
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001308
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001433
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001812
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001930
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002046
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001568
4-tert-Butylbenzenesulfonamide
6 spectra
C10H15NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.08235
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA411211C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA411213D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA4112155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA4112213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA4112237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA411225AF82PH
4-Trifluoromethylphenol
13 spectra
C7H5F3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.02921
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA067358
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA067352
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA067359
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA067353
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA067351
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA067360
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA067354
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA067361
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA067355
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA067362
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA067356
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EA067363
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA067357
4`-Aminoacetanilide
4 spectra
C8H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.07930
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF413503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF413501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF413504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF413502
5'-S-methyl-5'-thioadenosine
1 spectrum
C11H15N5O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.08960
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-MetaboLights-ML002001
5,6-Dimethylbenzotriazole
1 spectrum
C8H9N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.07965
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00120
5,7-Dihydroxy-4-phenylcoumarin
20 spectra
C15H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.05791
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002601
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003737
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003738
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002602
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002603
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002604
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002605
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002989
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002990
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002991
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002992
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002993
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003364
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003365
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003366
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003367
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003368
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003734
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003735
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003736
5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole
4 spectra
C8H6F2N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.01691
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW109203
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW109202
LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
MSBNK-KWR-KW109201
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW109204
5-Chloro-2-methyl-4-isothiazolin-3-one (CMI)
14 spectra
C4H4ClNOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
148.97020
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA028008
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA028002
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA028009
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA028003
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-Eawag-EA028014
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA028001
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA028010
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA028004
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA028011
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA028005
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA028012
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA028006
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EA028013
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA028007
5-Chlorobenzotriazole
9 spectra
C6H4ClN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.00937
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA232701AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA232703B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA232705070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA232711C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA232713D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2327155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA2327213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA2327237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA232725AF82PH
5-Fluorouracil
26 spectra
C4H3FN2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.01790
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA256608
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA256658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA256602
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA256652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA256609
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA256659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA256603
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA256653
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-Eawag-EA256614
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA256601
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA256610
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA256660
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA256604
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA256654
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA256611
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA256661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA256605
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA256655
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA256612
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA256662
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA256606
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA256656
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EA256613
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EA256663
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA256607
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA256657
5-Hydroxy-1,2,3-triazole
1 spectrum
C2H3N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
85.02760
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00122
5-hydroxyculmorin
10 spectra
C15H26O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.18822
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-2H2O+H]+
MSBNK-AAFC-AC000105
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+
MSBNK-AAFC-AC000100
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-2H2O+H]+
MSBNK-AAFC-AC000106
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+
MSBNK-AAFC-AC000101
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-2H2O+H]+
MSBNK-AAFC-AC000107
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+
MSBNK-AAFC-AC000102
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M-2H2O+H]+
MSBNK-AAFC-AC000108
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M-H2O+H]+
MSBNK-AAFC-AC000103
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-2H2O+H]+
MSBNK-AAFC-AC000109
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+
MSBNK-AAFC-AC000104
5-Methyl-1H-benzotriazole
39 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA029101AD6CPH
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA016708
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA016758
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA016702
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA016752
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA029103B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA016709
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA029105070APH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA016759
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA016703
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA016753
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA016714
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA008501
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA016764
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA016701
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA016751
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA029111C9CFPH
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA016710
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA016760
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA016704
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA016754
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA029113D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA016711
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0291155BE0PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA016761
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA016705
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA016755
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0291213166PH
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA016712
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA016762
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA016706
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA016756
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0291237762PH
LC-ESI-ITFT; MS2; CE: 80%; R=30000; [M+H]+
MSBNK-UFZ-UA008502
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA029125AF82PH
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA016713
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
MSBNK-Eawag-EA016763
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA016707
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA016757
5-Methyl-1H-Benzotriazole TP42 (Tentative)
1 spectrum
C9H9N3O2
191.06950
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00112
6-beta-Hydroxycortisol
35 spectra
C21H30O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
378.20419
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000122
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA409901AD6CPH
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000136
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000144
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000138
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000146
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000148
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000140
LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000141
LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000143
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000123
LC-ESI-ITFT; MS2; CE: 160%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000145
LC-ESI-ITFT; MS2; CE: 170%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000147
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000124
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA409903B085PH
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000125
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000126
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA409905070APH
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000128
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000127
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA409911C9CFPH
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000130
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000129
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA409913D9F1PH
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000132
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000134
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000131
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA4099213166PH
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000137
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000133
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA4099237762PH
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000139
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000135
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA409925AF82PH
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000142
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; 2021
MassBank Consortium
Responsible:
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