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Name
Formula / Structure
ExactMass
ID
Metyrapone
7 spectra
C14H14N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.11061
LC-ESI-IT; MS2; m/z: 227; [M+H]+
MSBNK-Keio_Univ-KO009044
LC-ESI-IT; MS3; m/z: 227/121; [M+H]+
MSBNK-Keio_Univ-KO009045
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003517
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003518
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003519
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003520
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003521
MEVALOLACTONE
3 spectra
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.06299
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102402_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102402_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102402_FB57
Mevastatin
5 spectra
C23H34O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.24063
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000857
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000858
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000859
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000860
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000861
MEVINOLINE
2 spectra
C24H36O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
404.25626
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009510
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009511
MEX_178.1226_10.2
6 spectra
C11H15NO
177.11540
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090601
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090602
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090603
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090604
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090605
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090606
MEX_180.1383_11.9
5 spectra
C11H17NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.13100
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090001
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090002
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090003
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090004
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090005
MEX_208.1332_16.9
6 spectra
C12H17NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.12590
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090706
MEX_222.1488_17.1
6 spectra
C13H19NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.14160
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090106
MEX_236.1645_17.7
6 spectra
C14H21NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
235.15720
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090201
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090202
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090203
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090204
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090205
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090206
MEX_278.1387_17.3
6 spectra
C15H19NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
277.13141
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090803
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090806
MEX_280.1544_16.8
6 spectra
C15H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
279.14709
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET090906
Mexiletine
11 spectra
C11H17NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.13101
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002979
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002978
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002980
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002981
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002982
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ301001
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ301002
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ301003
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ301004
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ301005
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ301006
MGMG 16:3
4 spectra
C25H42O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
486.60199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309153
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309154
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309155
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309156
MGMG 18:2
1 spectrum
C27H48O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
516.67200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309166
MGMG 18:3
5 spectra
C27H46O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
514.65601
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309161
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309162
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309163
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309164
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309165
MGMG 2:0
1 spectrum
C11H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.27200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309146
Mianserin
14 spectra
C18H20N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.16266
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001074
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001073
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001072
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001071
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001070
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ327407
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ327408
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ327401
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ327409
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ327402
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ327403
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ327404
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ327405
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ327406
Mianserin-N-Oxide
18 spectra
C18H20N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.15756
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ327807
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
MSBNK-Eawag-EQ327857
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ327808
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
MSBNK-Eawag-EQ327858
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ327801
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ327851
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ327809
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
MSBNK-Eawag-EQ327859
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ327802
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ327852
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ327803
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ327853
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ327804
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ327854
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ327805
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ327855
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ327806
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ327856
Michepressine
1 spectrum
[C19H20NO3]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.37619
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000006
Michler`s ketone
35 spectra
C17H20N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.15756
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA040101AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA040103B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA040105070APH
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF414403
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA040111C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA040113D9F1PH
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414401
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414404
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0401155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0401213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0401237762PH
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF414402
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA040125AF82PH
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU025001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU025002
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM812301
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU025003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU025004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU025005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU025006
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111027434
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111027435
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111027436
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111027437
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111027442
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111027438
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111027439
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111027440
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111027441
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229104
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229105
LC-ESI-QTOF; MS2; CE: Ramp 20.5-30.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229106
Miconazole
25 spectra
C18H14Cl4N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.98602
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0592213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0592237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA059225AF82PH
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM860201
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311107262
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311107256
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311107257
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311107266
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311107267
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311107259
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311107263
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311107258
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311107254
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107252
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107265
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311107264
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311107260
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311107255
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311107253
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311107261
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270602
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270603
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270604
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270605
LC-ESI-QTOF; MS2; CE: Ramp 23.9-35.9 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270606
Microcystin-LR
14 spectra
C49H74N10O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
994.54883
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA299208
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA299202
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA299209
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA299203
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-Eawag-EA299214
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA299201
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA299210
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA299204
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA299211
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA299205
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA299212
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA299206
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EA299213
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA299207
Microcystin-RR
7 spectra
C49H75N13O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1037.56580
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ325001
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ325002
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ325003
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ325004
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ325005
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ325006
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ325056
Midazolam
25 spectra
C18H13ClFN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
325.07819
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001079
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001078
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001077
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001076
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001075
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ302301
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ302302
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ302303
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ302304
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ302305
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ302306
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155902
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU155931
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155903
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU155932
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155904
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU155933
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155905
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU155934
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155907
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155908
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155909
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155910
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU155911
Mifepristone
6 spectra
C29H35NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
429.26682
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU099701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU099702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU099703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU099704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU099705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU099706
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