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Name
Formula / Structure
ExactMass
ID
PERACETYLATED N-ACETYLGALACTOSAMINYL-(BETA1,3)-GAL...
2 spectra
C54H75NO35
1297.41199
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001181
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001182
PERACETYLATED N-ACETYLGALACTOSAMINYL-(BETA1,4)-GAL...
2 spectra
C42H59NO27
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1009.32745
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001179
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001180
PERAZIL CHLORCYCLIZINE
1 spectrum
C18H21ClN2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.13934
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003068
PERAZINE
2 spectra
C20H25N3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
339.17691
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005782
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005769
Perfamine
4 spectra
C18H19NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.35641
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01126
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01127
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01128
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01125
PERFLUORO-1,1-DIMETHYLCYCLOPENTANE
1 spectrum
C7F14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
349.97763
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003698
Perfluorobutane sulfonic acid (PFBS)
4 spectra
C4HF9O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.95029
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595550
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595551
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595552
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595553
Perfluorobutane sulfonic acid (PFBuS)
9 spectra
C4HF9O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.95026
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
MSBNK-Eawag-EQ367557
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
MSBNK-Eawag-EQ367558
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ367551
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
MSBNK-Eawag-EQ367559
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ367552
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ367553
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ367554
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ367555
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ367556
Perfluorobutanesulfonic acid
16 spectra
C4HF9O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.95029
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311091323
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311091325
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311091324
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311091312
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311091315
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311091316
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311091310
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311091321
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311091320
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091313
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091314
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311091318
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311091322
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311091311
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311091319
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311091317
Perfluorobutanoic acid
5 spectra
C4HF7O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.98648
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM823751
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000006
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238157
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238158
LC-ESI-QTOF; MS2; CE: Ramp 20.5-30.8 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238162
Perfluorobutanoic acid (PFBuA)
2 spectra
C4HF7O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.98650
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594450
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594451
Perfluorobutylsulphonamide
9 spectra
C4H2F9NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.96631
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-
MSBNK-Eawag-EQ501157
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EQ501151
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M-H]-
MSBNK-Eawag-EQ501158
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M-H]-
MSBNK-Eawag-EQ501159
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EQ501152
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EQ501153
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EQ501154
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EQ501155
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EQ501156
Perfluorobutyric acid
7 spectra
C4HF7O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.98650
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA271358
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA271352
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA271359
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA271353
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA271351
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA271360
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA271357
Perfluorodecane sulfonic acid (PFDS)
5 spectra
C10HF21O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
599.93109
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596150
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596151
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596152
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596153
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596154
Perfluorodecanoic acid
10 spectra
C10HF19O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
513.96729
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA272058
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA272052
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA272053
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA272051
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM876951
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU240357
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU240358
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU240359
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU240360
LC-ESI-QTOF; MS2; CE: Ramp 32.3-48.5 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU240362
Perfluorodecanoic acid (PFDA)
4 spectra
C10HF19O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
513.96729
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595050
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595051
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595052
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595053
Perfluorododecanoic acid (PFDoDA)
5 spectra
C12HF23O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
613.96088
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595250
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595251
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595252
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595253
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595254
Perfluoroheptane sulfonic acid (PFHpS)
3 spectra
C7HF15O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
449.94070
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595851
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595852
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595853
Perfluoroheptanoic acid
13 spectra
C7HF13O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
363.97690
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA271658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA271652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA271659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA271653
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA271651
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA271654
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA271655
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000009
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241057
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241058
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241059
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241060
LC-ESI-QTOF; MS2; CE: Ramp 26.5-39.8 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241062
Perfluoroheptanoic acid (PFHpA)
3 spectra
C7HF13O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
363.97690
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594750
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594751
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594752
Perfluorohexane sulfonic acid (PFHxS)
4 spectra
C6HF13O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
399.94391
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595750
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595751
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595752
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU595753
Perfluorohexanesulfonic acid
1 spectrum
C6HF13O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
399.94391
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000010
Perfluorohexanoic acid
25 spectra
C6HF11O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.98010
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA271558
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA271552
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA271559
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA271553
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA271551
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA271554
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA271555
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA271557
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM877154
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000008
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111011936
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111011939
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111011945
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111011943
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111011935
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011938
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011940
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111011941
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111011942
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111011944
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111011937
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU240657
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU240658
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU240659
LC-ESI-QTOF; MS2; CE: Ramp 24.5-36.8 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU240662
Perfluorohexanoic acid (PFHxA)
3 spectra
C6HF11O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.98010
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594650
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594651
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU594652
Perfluorononane sulfonic acid (PFNS)
5 spectra
C9HF19O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
549.93433
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596050
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596051
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596052
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596053
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU596054
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