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Instrument Type:
LC-ESI-ITFT
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Results :
20,038 Hit.
( 510 - 675 Displayed )
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Results End
Name
Formula / Structure
ExactMass
ID
1H-Benzotriazole TP18 (Tentative)
1 spectrum
C8H7N3O2
177.05380
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00108
1H-Benzotriazole TP19 (Tentative)
1 spectrum
C8H7N3O2
177.05380
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00109
1H-Benzotriazole TP20 (Tentative)
1 spectrum
C6H5N3O4
183.02800
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00110
1H-Benzotriazole TP21 (Tentative)
1 spectrum
C6H5N3O4
183.02800
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00111
1H-Benzotriazole TP9 (Tentative)
1 spectrum
C5H5N3O3
155.03300
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00105
1H-Benzotriazole-4-carboxylic acid (Tentative)
1 spectrum
C7H5N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.03819
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00107
2',2'-Difluoro-2'-deoxyuridine
20 spectra
C9H10F2N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.05579
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA264908
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA264902
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA264909
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA264959
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA264903
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA264914
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA264901
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA264951
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA264910
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA264904
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA264911
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA264905
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA264955
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA264912
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA264962
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA264906
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA264956
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EA264963
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA264913
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA264907
2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine
14 spectra
C13H16FN3O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.10229
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA286208
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA286202
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA286209
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA286203
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA286214
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA286201
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA286210
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA286204
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA286211
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA286205
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA286212
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA286206
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA286213
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA286207
2(4-morpholinyl)benzothiazole
6 spectra
C11H12N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.06703
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA243201AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA243203B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA243205070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA243211C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA243213D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2432155BE0PH
2,4-D
14 spectra
C8H6Cl2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.96941
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA026758
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA026752
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA026759
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA026753
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA026764
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA026751
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA026760
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA026754
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA026761
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA026755
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA026762
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA026756
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
MSBNK-Eawag-EA026763
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA026757
2,6-Dichlorobenzamide
24 spectra
C7H5Cl2NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.97482
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA042601AD6CPH
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA008508
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA008502
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA042603B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA008509
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA042605070APH
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA008503
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA008514
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA008501
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF405103
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA042611C9CFPH
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA008510
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA008504
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA042613D9F1PH
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF405101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF405104
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA008511
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0426155BE0PH
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA008505
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA008512
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA008506
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF405102
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA008513
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA008507
2,6-diisopropylaniline
3 spectra
C12H19N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.15170
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW102603
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW102602
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW102604
2,6-Xylidine
13 spectra
C8H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
121.08915
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA044201AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA044203B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA044205070APH
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF414603
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA044211C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA044213D9F1PH
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414601
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414604
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0442155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0442213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0442237762PH
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF414602
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA044225AF82PH
2,7-Naphthalenedisulfonic acid
2 spectra
C10H8O6S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.97620
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA065451
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA065461
2-(2-(2-ethoxyethoxy)ethoxy)ethanol
4 spectra
C8H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.12050
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW109403
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW109402
LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
MSBNK-KWR-KW109401
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW109404
2-(2-(Chlorophenyl)amino)benzaldehyde
10 spectra
C13H10ClNO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.04509
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA019501AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA019503B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA019505070APH
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF409003
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA019511C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA019513D9F1PH
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF409001
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF409004
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0195155BE0PH
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF409002
2-(Methylthio)benzothiazole
13 spectra
C8H7NS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
181.00198
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA036901AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA036903B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA036905070APH
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF419803
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA036911C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA036913D9F1PH
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF419801
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF419804
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0369155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0369213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0369237762PH
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF419802
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA036925AF82PH
2-(Perfluorooctyl)ethanol
3 spectra
C10H5F17O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
464.00690
LC-ESI-ITFT; MS; Negative
MSBNK-MSSJ-MSJ00027
LC-ESI-ITFT; MS; Negative; CE 10 V
MSBNK-MSSJ-MSJ00025
LC-ESI-ITFT; MS; Negative; CE 40 V
MSBNK-MSSJ-MSJ00026
2-(Piperazin-1-yl)ethanamine
9 spectra
C6H15N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.12660
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA405401AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA405403B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA405405070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA405411C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA405413D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA4054155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA4054213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA4054237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA405425AF82PH
2-Acetonaphthone
9 spectra
C12H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.07317
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA008901AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA008903B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA008905070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA008911C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA008913D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0089155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0089213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0089237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA008925AF82PH
2-Acetylacetophenone
3 spectra
C10H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.06810
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW101603
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW101602
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW101604
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (P...
3 spectra
C13H12N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.10620
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA139301AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA139303B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA139305070APH
2-Amino-3,8-dimethylimidazo-[4,5-f]quinoxaline (Me...
6 spectra
C11H11N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.10144
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA139101AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA139103B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA139105070APH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA1391213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA1391237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA139125AF82PH
2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)
3 spectra
C11H10N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.09055
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA250201AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA250203B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA250205070APH
2-aminoadipic acid
1 spectrum
C6H11NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.06880
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-MetaboLights-ML000901
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