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LC-ESI-QQ
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9,615 Hit.
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Name
Formula / Structure
ExactMass
ID
Taxuspine F
1 spectrum
C28H38O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
534.60199
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000808
Temazepam
6 spectra
C16H13ClN2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.06656
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01630
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01631
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01632
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01633
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01634
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01629
Terbutaline
5 spectra
C12H19NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
225.13649
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004241
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004242
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004243
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004244
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004245
Terephthalic acid
5 spectra
C8H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.02661
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001958
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001959
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001960
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001961
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001962
Tetrahydropalmatine
5 spectra
C21H25NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
355.17838
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004162
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004163
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004164
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004165
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004166
Thebaine
4 spectra
C19H21NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
311.15213
LC-ESI-QQ; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB003621
LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
MSBNK-IPB_Halle-PB003641
LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
MSBNK-IPB_Halle-PB003642
LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
MSBNK-IPB_Halle-PB003643
Theobromine
5 spectra
C7H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06473
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004122
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004123
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004124
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004125
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004126
Theophylline
10 spectra
C7H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06473
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004132
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001904
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004133
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001905
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004134
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001906
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004135
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001907
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004136
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001908
Thiabendazole
9 spectra
C10H7N3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.03607
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004127
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000086
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004128
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000087
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004129
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000088
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004130
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000089
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004131
Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(...
5 spectra
C10H7N3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.25200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034902
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034903
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034904
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034905
Thiacloprid
5 spectra
C10H9ClN4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.02364
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000081
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000082
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000083
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000084
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Waters-WA000085
Thiamethoxam
4 spectra
C8H10ClN5O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
291.01929
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000090
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000091
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000092
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000093
Thiamine
10 spectra
[C12H17N4OS]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.11230
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004186
LC-ESI-QQ; MS2; CE:10 V; [M-2H]-
MSBNK-Keio_Univ-KO001933
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004187
LC-ESI-QQ; MS2; CE:20 V; [M-2H]-
MSBNK-Keio_Univ-KO001934
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004188
LC-ESI-QQ; MS2; CE:30 V; [M-2H]-
MSBNK-Keio_Univ-KO001935
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004189
LC-ESI-QQ; MS2; CE:40 V; [M-2H]-
MSBNK-Keio_Univ-KO001936
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004190
LC-ESI-QQ; MS2; CE:50 V; [M-2H]-
MSBNK-Keio_Univ-KO001937
Thiamine monophosphate
10 spectra
[C12H18N4O4PS]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
345.07864
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004191
LC-ESI-QQ; MS2; CE:10 V; [M-2H]-
MSBNK-Keio_Univ-KO001938
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004192
LC-ESI-QQ; MS2; CE:20 V; [M-2H]-
MSBNK-Keio_Univ-KO001939
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004193
LC-ESI-QQ; MS2; CE:30 V; [M-2H]-
MSBNK-Keio_Univ-KO001940
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004194
LC-ESI-QQ; MS2; CE:40 V; [M-2H]-
MSBNK-Keio_Univ-KO001941
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004195
LC-ESI-QQ; MS2; CE:50 V; [M-2H]-
MSBNK-Keio_Univ-KO001942
Thiamine pyrophosphate
10 spectra
[C12H19N4O7P2S]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
425.04498
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002582
LC-ESI-QQ; MS2; CE:10 V; [M-2H]-
MSBNK-Keio_Univ-KO000471
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002583
LC-ESI-QQ; MS2; CE:20 V; [M-2H]-
MSBNK-Keio_Univ-KO000472
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002584
LC-ESI-QQ; MS2; CE:30 V; [M-2H]-
MSBNK-Keio_Univ-KO000473
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002585
LC-ESI-QQ; MS2; CE:40 V; [M-2H]-
MSBNK-Keio_Univ-KO000474
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002586
LC-ESI-QQ; MS2; CE:50 V; [M-2H]-
MSBNK-Keio_Univ-KO000475
Thiamylal
6 spectra
C12H18N2O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.10889
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ03130
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ03131
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ03132
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ03133
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ03134
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ03129
Thidiazuron
4 spectra
C9H8N4OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.04189
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000216
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000217
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000218
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000219
Thifensulfuron-methyl
5 spectra
C12H13N5O6S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
387.03073
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000220
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000221
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000222
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000223
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Waters-WA000224
Thioctacid, Lip(S2), 1,2-Dithiolane-3-pentanoic ac...
2 spectra
C8H14O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.32800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS021401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS021402
Thioglycolic acid solution , Mercaptoacetic acid, ...
2 spectra
C2H4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
92.11700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS035407
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS035408
Thiopental
6 spectra
C11H18N2O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.10889
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ03136
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ03137
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ03138
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ03139
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ03140
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ03135
Thioridazine
6 spectra
C21H26N2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
370.15372
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ03142
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ03143
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ03144
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ03145
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ03146
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ03141
threo-beta-Hydroxyaspartic acid
5 spectra
C4H7NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.03242
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001125
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001126
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001127
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001128
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001129
threo-DsLs-Isocitric acid trisodium salt, DL-isoci...
1 spectrum
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.12300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS021707
Thymidine
10 spectra
C10H14N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.09027
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004092
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001881
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004093
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001882
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004094
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001883
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004095
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001884
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004096
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001885
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