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LC-ESI-QFT
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Name
Formula / Structure
ExactMass
ID
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
1,3-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-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-(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-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
1-Chlorobenzotriazole
18 spectra
C6H4ClN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.00937
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ369407
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ369457
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ369408
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ369458
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ369401
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ369451
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ369409
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
EQ369459
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ369402
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ369452
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ369403
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ369453
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ369404
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ369454
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ369405
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ369455
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ369406
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ369456
1-Hydroxyanthraquinone
1 spectrum
C14H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.04733
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM828451
1-Hydroxybenzotriazole
18 spectra
C6H5N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.04326
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ289907
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ289957
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ289908
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ289958
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ289901
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ289951
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ289909
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
EQ289959
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ289902
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ289952
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ289903
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ289953
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ289904
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ289954
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ289905
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ289955
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ289906
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ289956
1-Methyl-1,2,3-benzotriazole
9 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ279807
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ279808
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ279801
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ279809
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ279802
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ279803
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ279804
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ279805
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ279806
1-Naphthoic acid methyl ester
1 spectrum
C12H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.06808
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM803101
1-Naphthol-5-sulfonic acid
1 spectrum
C10H8O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.01433
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM833051
1-Naphthylamine
1 spectrum
C10H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
143.07350
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM800201
10,11-Dihydro-10,11-dihydroxycarbamazepine
1 spectrum
C15H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.10043
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM858102
10-Azabenzo[a]pyrene
1 spectrum
C19H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.08916
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM828302
10-HDoHE
3 spectra
C22H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.23514
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]1-
IA000139
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]1-
IA000140
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]1-
IA000141
10phiC10SPC
18 spectra
C16H24O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.13443
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ357007
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ357057
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ357008
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ357058
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ357001
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ357051
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ357009
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
EQ357059
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ357002
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ357052
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ357003
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ357053
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ357004
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ357054
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ357005
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ357055
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ357006
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ357056
10phiC10SPC (STANDARD)
2 spectra
C16H24O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.13440
LC-ESI-QFT; MS2; HCD50; [M-H]-
ETS00019
LC-ESI-QFT; MS2; HCD80; [M-H]-
ETS00020
11(12)-EET-[d11]
3 spectra
C20H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
320.23514
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]1-
IA000160
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]1-
IA000161
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]1-
IA000162
11,12-DHET-[d11]
3 spectra
C20H34O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.24570
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]1-
IA000085
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]1-
IA000086
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]1-
IA000087
11-HDoHE
3 spectra
C22H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.23514
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]1-
IA000136
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]1-
IA000137
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]1-
IA000138
11-HETE
3 spectra
C20H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
320.23514
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]1-
IA000121
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]1-
IA000122
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]1-
IA000123
12(13)-EpOME-[d4]
3 spectra
C18H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.23514
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]1-
IA000055
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]1-
IA000056
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]1-
IA000057
12-HEPE
3 spectra
C20H30O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
318.21948
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]1-
IA000028
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]1-
IA000029
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]1-
IA000030
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