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LC-ESI-QQ
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9,615 Hit.
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Name
Formula / Structure
ExactMass
ID
Sulfathiazole
10 spectra
C9H9N3O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.01363
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004057
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001852
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004058
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001853
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004059
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001854
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004060
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001855
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004061
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001856
Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, He...
6 spectra
C6H9NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
143.20900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065205
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065206
Sulindac
17 spectra
C20H17FO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
356.08823
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004047
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004048
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004049
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004050
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004051
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-HCO2]-
MSBNK-MSSJ-MSJ03049
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-HCO2]-
MSBNK-MSSJ-MSJ03050
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-HCO2]-
MSBNK-MSSJ-MSJ03051
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-HCO2]-
MSBNK-MSSJ-MSJ03052
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-HCO2]-
MSBNK-MSSJ-MSJ03053
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ03043
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ03044
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ03045
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ03046
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ03047
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ03048
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ03042
Sulpiride
17 spectra
C15H23N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
341.14093
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+HCO2]-
MSBNK-MSSJ-MSJ03078
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ03073
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+HCO2]-
MSBNK-MSSJ-MSJ03079
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ03074
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+HCO2]-
MSBNK-MSSJ-MSJ03080
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ03075
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+HCO2]-
MSBNK-MSSJ-MSJ03081
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ03076
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+HCO2]-
MSBNK-MSSJ-MSJ03082
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ03077
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ03067
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ03068
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ03069
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ03070
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ03071
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ03072
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ03066
Sultopride
12 spectra
C17H26N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.16132
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ03061
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ03062
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ03063
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ03064
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ03065
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ03055
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ03056
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ03057
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ03058
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ03059
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ03060
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ03054
Synephrine
5 spectra
C9H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.09464
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004052
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004053
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004054
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004055
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004056
syringetin-3-O-galactoside, Syrg-3-Gal
10 spectra
C23H24O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
508.43201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087003
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087004
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087005
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087007
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087008
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087009
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087010
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087011
syringetin-3-O-glucoside, Syrg-3-Glc
10 spectra
C23H24O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
508.43201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087104
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087105
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087107
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087108
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087109
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087110
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087111
Syringic acid
5 spectra
C9H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.05283
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001812
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001813
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001814
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001815
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001816
Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether...
7 spectra
C9H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.17500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS108701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS108702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS108703
Talipexole
6 spectra
C10H15N3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
209.09866
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ03118
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ03119
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ03120
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ03121
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ03122
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ03117
Tandospirone
6 spectra
C21H29N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
383.23212
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ03124
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ03125
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ03126
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ03127
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ03128
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ03123
Tartrate, 1,2-Dihydroxyethane-1,2-dicarboxylic aci...
1 spectrum
C4H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.08600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075607
Tartronic acid
5 spectra
C3H4O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.00587
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001923
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001924
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001925
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001926
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001927
Taurine
10 spectra
C2H7NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.01466
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004077
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001872
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004078
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001873
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004079
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001874
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004080
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001875
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004081
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001876
Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulf...
5 spectra
C2H7NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.14700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034705
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS034707
Taurocholic acid
9 spectra
C26H45NO7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
515.29169
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004167
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001918
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004168
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001919
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004169
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001920
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001921
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004170
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001922
Taurolithocholic acid
5 spectra
C26H45NO8S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
563.25867
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001953
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001954
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001955
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001956
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001957
Taxacin
1 spectrum
C44H48O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
816.85303
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000849
Taxayuntin E
1 spectrum
C33H42O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
630.68701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000825
Taxchinin G
1 spectrum
C28H40O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
552.61700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000811
Taxinine A
1 spectrum
C26H36O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
476.56601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000802
Taxinine B
1 spectrum
C37H44O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
664.74799
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000831
Taxuspine A
1 spectrum
C42H48O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
728.83502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000843
Taxuspine D
1 spectrum
C39H48O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
724.79999
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000841
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