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LC-ESI-QFT
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12,843 Hit.
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Name
Formula / Structure
ExactMass
ID
(-)-Epigallocatechin gallate
9 spectra
C22H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
458.08490
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU080801
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU080851
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU080852
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU080803
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU080853
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU080804
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU080854
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU080855
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU080856
(4-Aminophenyl)arsonic acid
12 spectra
C6H8AsNO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.97200
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU040601
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU040651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU040602
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU040652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU040603
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU040653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU040604
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU040654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU040605
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU040655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU040606
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU040656
(9Z,12R)-12-Hydroxyoctadec-9-enoic acid
6 spectra
C18H34O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.25079
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU021951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU021952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU021953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU021954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU021955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU021956
1,1,2-Trimethyl-1H-benzo[e]indole
6 spectra
C15H15N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
209.12041
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU059801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU059802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU059803
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU059804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU059805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU059806
1,1,3-Trimethyl-2-thiourea
6 spectra
C4H10N2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.05650
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU088601
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU088602
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU088603
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU088604
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU088605
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU088606
1,1`-Disulfanediyldiazepan-2-one
6 spectra
C12H20N2O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.09659
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU050301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU050302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU050303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU050304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU050305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU050306
1,2,3-Benzotriazole
12 spectra
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04830
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU063401
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU063451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU063402
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU063452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU063403
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU063453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU063404
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU063454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU063405
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU063455
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU063406
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU063456
1,2,3-Triazole
1 spectrum
C2H3N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
69.03270
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM800003
1,2-Benzisothiazolin-3-one
3 spectra
C7H5NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.00920
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU033001
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU033005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU033006
1,2-Dimethyl-5-nitroimidazole
6 spectra
C5H7N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
141.05380
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU060701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU060702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU060703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU060704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU060705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU060706
1,3-Dihydroxyanthraquinone
1 spectrum
C14H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.04227
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM827751
1,3-Dimethylpteridine-2,4-dione
6 spectra
C8H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.06473
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ310401
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ310402
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ310403
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ310404
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ310405
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ310406
1,3-Diphenylguanidine
12 spectra
C13H13N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.11090
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU084501
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU084551
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU084502
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU084552
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU084503
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU084553
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU084504
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU084554
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU084505
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU084555
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU084506
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU084556
1,3-Dipropan-2-ylurea
6 spectra
C7H16N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.12630
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU036001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU036002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU036003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU036004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU036005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU036006
1,4-Bis(N-isopropylamino)anthraquinone
3 spectra
C20H22N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.16809
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU052903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU052904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU052905
1,4-Diaminoanthraquinone
5 spectra
C14H10N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.07420
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU053001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU053002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU053003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU053004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU053005
1,5-Naphthalenediamine
6 spectra
C10H10N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.08440
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU054301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU054302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU054303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU054304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU054305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU054306
1-(2,6-Dichlorophenyl)-2-indolinone
5 spectra
C14H9Cl2NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
277.00610
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU115001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU115002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU115003
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU115005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU115006
1-(2-Hydroxyethyl)pyrrolidin-2-one
6 spectra
C6H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.07899
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU101901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU101902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU101903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU101904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU101905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU101906
1-(3-carboxypropyl)-3,7-dimethylxanthine
1 spectrum
C11H14N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.10150
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM871101
1-(4-Methoxyphenyl)-1-pentene-3-one
6 spectra
C12H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.09940
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU060301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU060302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU060303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU060304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU060305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU060306
1-(Methoxymethyl)-1H-benzotriazole
9 spectra
C8H9N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.07455
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ318307
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ318308
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ318301
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ318309
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ318302
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ318303
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ318304
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ318305
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ318306
1-[(4-Chlorophenyl)phenylmethyl]piperazine
9 spectra
C17H19ClN2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.12369
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ338307
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ338308
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ338301
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ338309
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ338302
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ338303
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ338304
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ338305
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ338306
1-Amino-2-methylanthraquinone
6 spectra
C15H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
237.07899
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU077301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU077302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU077303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU077304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU077305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU077306
1-Benzylpiperazine
9 spectra
C11H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.13135
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ282007
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ282008
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ282001
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ282009
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ282002
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ282003
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ282004
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ282005
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ282006
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