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LC-ESI-ITFT
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Results :
20,038 Hit.
( 16,960 - 17,215 Displayed )
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( Total
71
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Results End
Name
Formula / Structure
ExactMass
ID
Ritalinic acid
19 spectra
C13H17NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.12590
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA070108
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA070158
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA070102
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA070152
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA070109
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA070159
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA070103
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA070153
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA070114
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA070101
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA070151
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA070110
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA070104
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA070111
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA070105
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA070112
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA070106
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA070113
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA070107
Ritonavir
14 spectra
C37H48N6O5S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
720.31281
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA258008
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA258002
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA258009
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA258003
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA258014
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA258001
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA258010
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA258004
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA258011
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA258005
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA258012
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA258006
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA258013
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA258007
Roquefortine A
5 spectra
C18H22N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.16812
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000550
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000551
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000552
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000553
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000554
Roquefortine C
22 spectra
C22H23N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
389.18518
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000214
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
MSBNK-AAFC-AC000219
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003656
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003156
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003657
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003157
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000215
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000220
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003658
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003158
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000216
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000221
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000217
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
MSBNK-AAFC-AC000222
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003659
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003159
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003660
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003160
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000218
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
MSBNK-AAFC-AC000223
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003161
Roquefortine D
5 spectra
C22H25N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
391.20081
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000806
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000807
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000808
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000809
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000810
Roquefortine E
6 spectra
C27H31N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
457.24777
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003162
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003163
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003164
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003165
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003166
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003167
Roquefortine H
3 spectra
C28H33N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
487.25833
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000811
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000812
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000813
Roquefortine L
5 spectra
C22H21N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
403.16443
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000814
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000815
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000816
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000817
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000818
Roquefortine M
5 spectra
C22H23N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
421.17499
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000926
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000927
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000928
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000929
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000930
Roridin A
9 spectra
C29H40O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
532.26721
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000555
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000556
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000560
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000557
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000561
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000558
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
MSBNK-AAFC-AC000562
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000559
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
MSBNK-AAFC-AC000563
Rosuvastatin
28 spectra
C22H28FN3O6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
481.16827
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA280208
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA280258
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA280202
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA280252
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA280209
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA280259
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA280203
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA280253
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA280214
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA280264
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA280201
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA280251
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA280210
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA280260
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA280204
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA280254
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA280211
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA280261
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA280205
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA280255
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA280212
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA280262
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA280206
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA280256
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA280213
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
MSBNK-Eawag-EA280263
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA280207
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA280257
Rotenone
7 spectra
C23H22O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
394.14163
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000116
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000117
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000118
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000119
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000120
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000121
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000122
Roxithromycin
14 spectra
C41H76N2O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
836.52460
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA019208
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA019202
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA019209
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA019203
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA019214
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA019201
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA019210
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA019204
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA019211
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA019205
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA019212
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA019206
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA019213
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA019207
Rubratoxin A
6 spectra
C26H32O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
520.19446
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003210
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003211
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003212
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003213
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003214
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003215
Rubrofusarin
16 spectra
C15H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.06851
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003585
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003075
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003586
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003076
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000705
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003587
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003077
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000706
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003588
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003078
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000707
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003589
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003079
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000708
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003590
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003080
Rugulosin
17 spectra
C30H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
542.12128
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000564
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003713
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003216
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003714
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003217
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000565
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003715
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003218
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000566
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000567
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003716
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003219
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003717
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003220
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000568
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003718
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003221
Rugulotrosin A
12 spectra
C32H30O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
638.16357
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003719
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003222
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003720
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003223
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003721
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003224
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003722
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003225
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003723
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003226
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003724
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003227
Rutin
7 spectra
C27H30O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
610.15338
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000136
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000137
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000138
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000139
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002616
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002617
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000140
S,R-Noscapine
5 spectra
C22H23NO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.14746
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000163
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000164
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000165
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000166
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000167
S-Adenosyl-L-homocysteine
16 spectra
C14H20N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
384.12158
LC-ESI-ITFT; MS2; m/z:134.05; NEG
MSBNK-NAIST-KNA00625
LC-ESI-ITFT; MS2; m/z:134.05; NEG
MSBNK-NAIST-KNA00713
LC-ESI-ITFT; MS2; m/z:193.07; POS
MSBNK-NAIST-KNA00229
LC-ESI-ITFT; MS2; m/z:193.07; POS
MSBNK-NAIST-KNA00313
LC-ESI-ITFT; MS2; m/z:244.09; POS
MSBNK-NAIST-KNA00230
LC-ESI-ITFT; MS2; m/z:268.10; POS
MSBNK-NAIST-KNA00314
LC-ESI-ITFT; MS2; m/z:383.11; NEG
MSBNK-NAIST-KNA00626
LC-ESI-ITFT; MS2; m/z:383.11; NEG
MSBNK-NAIST-KNA00714
LC-ESI-ITFT; MS2; m/z:385.13; POS
MSBNK-NAIST-KNA00231
LC-ESI-ITFT; MS2; m/z:385.13; POS
MSBNK-NAIST-KNA00315
LC-ESI-ITFT; MS2; m/z:767.24; NEG
MSBNK-NAIST-KNA00627
LC-ESI-ITFT; MS2; m/z:767.24; NEG
MSBNK-NAIST-KNA00715
LC-ESI-ITFT; MS; NEG
MSBNK-NAIST-KNA00624
LC-ESI-ITFT; MS; NEG
MSBNK-NAIST-KNA00712
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00228
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00312
S-Adenosyl-L-methionine
8 spectra
C15H22N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
398.13724
LC-ESI-ITFT; MS2; m/z:200.08; POS
MSBNK-NAIST-KNA00186
LC-ESI-ITFT; MS2; m/z:200.08; POS
MSBNK-NAIST-KNA00373
LC-ESI-ITFT; MS2; m/z:226.95; POS
MSBNK-NAIST-KNA00187
LC-ESI-ITFT; MS2; m/z:298.10; POS
MSBNK-NAIST-KNA00374
LC-ESI-ITFT; MS2; m/z:399.14; POS
MSBNK-NAIST-KNA00188
LC-ESI-ITFT; MS2; m/z:399.14; POS
MSBNK-NAIST-KNA00375
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00185
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00372
Saccharin
14 spectra
C7H5NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.99899
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA281658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA281652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA281659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA281653
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA281664
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA281651
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA281660
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA281654
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA281661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA281655
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA281662
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA281656
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
MSBNK-Eawag-EA281663
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA281657
Safranin
3 spectra
[C20H19N4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
315.16098
LC-ESI-ITFT; MS2; CE 35 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000191
LC-ESI-ITFT; MS2; CE 70 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000192
LC-ESI-ITFT; MS; [M]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000193
Salsolinol
5 spectra
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000066
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000067
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000068
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000069
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000070
Sambucinol
5 spectra
C15H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.15182
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000569
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000570
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000571
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000572
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000573
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