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Name
Formula / Structure
ExactMass
ID
(Methoxymethyl)triphenylphosphonium
2 spectra
[C20H20OP]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
307.12518
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU248503
LC-ESI-QTOF; MS2; CE: Ramp 21.8-32.6 eV; R=35000; [M+H]+
AU248506
1,2,4-Triazole
1 spectrum
C2H3N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
69.03270
LC-ESI-QTOF; MS2; CE: Ramp 14.4-21.6 eV; R=35000; [M+H]+
AU279306
1,2-Benzisothiazolinone
6 spectra
C7H5NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.00919
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU286201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU286202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU286203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU286204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU286205
LC-ESI-QTOF; MS2; CE: Ramp 20-30 eV; R=35000; [M+H]+
AU286206
1,3-Dimethyl-2-imidazolidinon
5 spectra
C5H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.07932
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU223101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU223102
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
AU223107
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
AU223108
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
AU223109
1,3-Dimethyl-2-imidazolidinone
2 spectra
C5H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.07932
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU248601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU248602
1,3-Diphenylguanidine
6 spectra
C13H13N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.11095
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU248701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU248702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU248703
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU248704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU248705
LC-ESI-QTOF; MS2; CE: Ramp 18.4-27.7 eV; R=35000; [M+H]+
AU248706
1-(3-carboxypropyl)-3,7-dimethylxanthine
6 spectra
C11H14N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.10150
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU278501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU278502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU278503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU278504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU278505
LC-ESI-QTOF; MS2; CE: Ramp 20.4-30.6 eV; R=35000; [M+H]+
AU278506
1-Benzylpiperazine
1 spectrum
C11H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.13135
LC-ESI-QTOF; MS2; CE: RAMP 17.2-25.8 eV; R=35000; [M+H]+
AU169406
1-Chlorobenzotriazole
11 spectra
C6H4ClN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.00937
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU405501
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU405551
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU405502
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU405552
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU405503
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU405553
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU405504
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
AU405507
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
AU405508
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
AU405509
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
AU405511
1-Hydroxy-Benzotriazol
7 spectra
C6H5N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.04326
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU223201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU223202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU223203
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
AU223207
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
AU223208
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
AU223209
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
AU223210
1-Methylbenzotriazole
10 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU224001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU224002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU224003
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU224004
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU224005
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
AU224007
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
AU224008
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
AU224009
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
AU224010
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
AU224011
10,11-Dihydro-10,11-dihydroxycarbamazepine
6 spectra
C15H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.10043
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU266801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU266802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU266803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU266804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU266805
LC-ESI-QTOF; MS2; CE: Ramp 20.6-30.8 eV; R=35000; [M+H]+
AU266806
10,11-Dihydro-10-Hydroxycarbazepine
6 spectra
C15H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.10553
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU228201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU228202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU228203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU228204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU228205
LC-ESI-QTOF; MS2; CE: Ramp 20.0-30.0 eV; R=35000; [M+H]+
AU228206
10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine
5 spectra
C15H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.10043
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU203901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU203902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU203903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU203904
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU203905
11-Ketotestosterone
6 spectra
C19H26O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.18820
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU281501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU281502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU281503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU281504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU281505
LC-ESI-QTOF; MS2; CE: Ramp 21.7-32.5 eV; R=35000; [M+H]+
AU281506
17-alpha-Estradiol
6 spectra
C18H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.17764
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU281701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU281702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU281703
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU281704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU281705
LC-ESI-QTOF; MS2; CE: Ramp 20.6-31.0 eV; R=35000; [M+H]+
AU281706
17-beta-Estradiol
6 spectra
C18H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.17764
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU279701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU279702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU279703
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU279704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU279705
LC-ESI-QTOF; MS2; CE: Ramp 20.6-31.0 eV; R=35000; [M+H]+
AU279706
17alpha-Hydroxyprogesterone
9 spectra
C21H30O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
330.21948
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU239701
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU239757
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU239702
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU239758
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU239703
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU239759
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU239704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU239705
LC-ESI-QTOF; MS2; CE: Ramp 22.2-33.3 eV; R=35000; [M+H]+
AU239706
17alpha-Methyltestosterone
6 spectra
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU281601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU281602
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU281603
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU281604
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU281605
LC-ESI-QTOF; MS2; CE: Ramp 21.7-32.5 eV; R=35000; [M+H]+
AU281606
1H,1H,2H,2H-perfluorodecan sulfonate (8:2) (8:2 Fl...
3 spectra
C10H5F17O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
527.96881
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU594350
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU594351
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU594352
1H,1H,2H,2H-perfluorohexanesulfonate (4:2) (4:2 Fl...
3 spectra
C6H5F9O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.98160
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU594150
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU594151
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU594152
1H,1H,2H,2H-perfluorooctane sulfonate (6:2) (6:2 F...
3 spectra
C8H5F13O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.97519
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU594250
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU594251
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU594252
1H-Benzotriazole
10 spectra
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04835
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU241457
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU405002
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU241458
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU405003
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU241404
LC-ESI-QTOF; MS2; CE: Ramp 16.7-25.1 eV; R=35000; [M-H]-
AU241462
LC-ESI-QTOF; MS2; CE: Ramp 20-30 eV; R=35000; [M+H]+
AU241406
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
AU405007
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
AU405008
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
AU405009
2,2,6,6-Tetramethyl-4 piperidone
3 spectra
C9H17NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.13101
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU249001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU249002
LC-ESI-QTOF; MS2; CE: Ramp 16.4-24.6 eV; R=35000; [M+H]+
AU249006
2,4-Diaminobenzenesulfonic acid
2 spectra
C6H8N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.02556
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU278801
LC-ESI-QTOF; MS2; CE: Ramp 17.6-26.4 eV; R=35000; [M+H]+
AU278806
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