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33,706 Hit.
( 1,120 - 1,263 Displayed )
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Name
Formula / Structure
ExactMass
ID
16-Hydroxypalmitic acid, 16-Hydroxyhexadecanoic ac...
1 spectrum
C16H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.42899
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200240
16-Methylheptadecanoic acid
2 spectra
C18H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.27155
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001827
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001828
16alpha-hydroxyestrone
1 spectrum
C18H22O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.15689
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108227
17-HDoHE
9 spectra
C22H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.23514
LC-ESI-QIT; MS2; CE:10 V; [M-H]-
MSBNK-Chubu_Univ-UT000127
LC-ESI-QIT; MS2; CE:15 V; [M-H]-
MSBNK-Chubu_Univ-UT000128
LC-ESI-QIT; MS2; CE:20 V; [M-H]-
MSBNK-Chubu_Univ-UT000129
LC-ESI-QIT; MS2; CE:25 V; [M-H]-
MSBNK-Chubu_Univ-UT000130
LC-ESI-QIT; MS2; CE:30 V; [M-H]-
MSBNK-Chubu_Univ-UT000131
LC-ESI-QIT; MS2; CE:35 V; [M-H]-
MSBNK-Chubu_Univ-UT000132
LC-ESI-QIT; MS2; CE:40 V; [M-H]-
MSBNK-Chubu_Univ-UT000133
LC-ESI-QIT; MS2; CE:45 V; [M-H]-
MSBNK-Chubu_Univ-UT000134
LC-ESI-QIT; MS2; CE:50 V; [M-H]-
MSBNK-Chubu_Univ-UT000135
17a-helveticoside
4 spectra
C29H42O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
534.65271
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA05160
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA05161
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA05162
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA05159
17alpha-Hydroxyprogesterone
3 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]-
MSBNK-Athens_Univ-AU239757
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU239758
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU239759
17alpha-Strophadogenin
4 spectra
C23H32O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
420.50729
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA05208
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA05209
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA05210
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA05207
18-Beta-glycyrrhetinic acid
7 spectra
C30H46O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
470.33960
LC-ESI-QTOF; MS
MSBNK-BS-BS003178
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003174
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003175
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003180
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003177
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003176
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003179
18-HEPE
15 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]-
MSBNK-ISAS_Dortmund-IA000082
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000083
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000084
LC-ESI-QIT; MS2; CE:10 V; [M-H]-
MSBNK-Chubu_Univ-UT000136
LC-ESI-QIT; MS2; CE:15 V; [M-H]-
MSBNK-Chubu_Univ-UT000137
LC-ESI-QIT; MS2; CE:20 V; [M-H]-
MSBNK-Chubu_Univ-UT000138
LC-ESI-QIT; MS2; CE:25 V; [M-H]-
MSBNK-Chubu_Univ-UT000139
LC-ESI-QIT; MS2; CE:30 V; [M-H]-
MSBNK-Chubu_Univ-UT000140
LC-ESI-QIT; MS2; CE:35 V; [M-H]-
MSBNK-Chubu_Univ-UT000141
LC-ESI-QIT; MS2; CE:40 V; [M-H]-
MSBNK-Chubu_Univ-UT000142
LC-ESI-QIT; MS2; CE:45 V; [M-H]-
MSBNK-Chubu_Univ-UT000143
LC-ESI-QIT; MS2; CE:50 V; [M-H]-
MSBNK-Chubu_Univ-UT000144
LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000355
LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000356
LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000357
19S-Methoxytubotaiwine
13 spectra
C21H26N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.45001
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304441
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304445
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304449
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304453
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304456
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304460
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304464
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304468
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304472
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304476
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304479
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304483
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308869
1b,3a,12a-Trihydroxy-5b-cholan-24-oic acid
5 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28757
LC-ESI-TOF; MS; Negative; Orifice voltage -120 V
MSBNK-Nihon_Univ-NU000374
LC-ESI-TOF; MS; Negative; Orifice voltage -150 V
MSBNK-Nihon_Univ-NU000375
LC-ESI-TOF; MS; Negative; Orifice voltage -30 V
MSBNK-Nihon_Univ-NU000371
LC-ESI-TOF; MS; Negative; Orifice voltage -60 V
MSBNK-Nihon_Univ-NU000372
LC-ESI-TOF; MS; Negative; Orifice voltage -90 V
MSBNK-Nihon_Univ-NU000373
1b,3a,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
3 spectra
C24H40O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
424.28250
LC-ESI-TOF; MS; Negative; Orifice voltage -30 V
MSBNK-Nihon_Univ-NU000376
LC-ESI-TOF; MS; Negative; Orifice voltage -60 V
MSBNK-Nihon_Univ-NU000377
LC-ESI-TOF; MS; Negative; Orifice voltage -90 V
MSBNK-Nihon_Univ-NU000378
1b,3a,7a-Trihydroxy-5b-cholan-24-oic acid
3 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28799
LC-ESI-TOF; MS; Negative; Orifice voltage -120 V
MSBNK-Nihon_Univ-NU000369
LC-ESI-TOF; MS; Negative; Orifice voltage -30 V
MSBNK-Nihon_Univ-NU000366
LC-ESI-TOF; MS; Negative; Orifice voltage -60 V
MSBNK-Nihon_Univ-NU000367
1b,3a-Dihydroxy-5b-cholan-24-oic acid
3 spectra
C24H40O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.29266
LC-ESI-TOF; MS; Negative; Orifice voltage -120 V
MSBNK-Nihon_Univ-NU000364
LC-ESI-TOF; MS; Negative; Orifice voltage -60 V
MSBNK-Nihon_Univ-NU000362
LC-ESI-TOF; MS; Negative; Orifice voltage -90 V
MSBNK-Nihon_Univ-NU000363
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]-
MSBNK-Athens_Univ-AU594350
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594351
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-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]-
MSBNK-Athens_Univ-AU594150
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594151
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594152
1H,1H,2H,2H-Perfluorohexanesulphonic acid
16 spectra
C6H5F9O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.98160
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111013890
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111013884
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111013886
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111013888
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111013882
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111013875
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111013877
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111013883
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111013876
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013881
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013887
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111013880
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111013889
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111013879
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111013878
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111013885
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]-
MSBNK-Athens_Univ-AU594250
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594251
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594252
1H-1,2,3-triazole-5-OH
6 spectra
C2H3N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
85.02761
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ318651
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ318652
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ318653
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ318654
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ318655
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ318656
1H-1,2,4-Triazole
3 spectra
C2H3N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
69.03270
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001348
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001345
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001346
1H-Benzimidazole
2 spectra
C7H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.05310
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000015
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000212
1H-Benzo[de]isoquinoline-1,3(2H)-dione
3 spectra
C12H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
197.04768
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000774
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000773
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000772
1H-Benzotriazol-1-ol
6 spectra
C6H5N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.04330
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU085251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU085252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU085253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU085254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU085255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU085256
1H-Benzotriazole
17 spectra
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04830
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA016658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA016652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA016659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA016653
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA016664
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA016651
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA016660
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA016654
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA016661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA016655
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA016662
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA016656
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
MSBNK-Eawag-EA016663
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA016657
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241457
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241458
LC-ESI-QTOF; MS2; CE: Ramp 16.7-25.1 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241462
1H-Benzotriazole, 4(or 5)-methyl-
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]-
MSBNK-Eawag-EQ279157
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
MSBNK-Eawag-EQ279158
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ279151
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
MSBNK-Eawag-EQ279159
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ279152
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ279153
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ279154
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ279155
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ279156
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