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LC-ESI-IT
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664 Hit.
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Name
Formula / Structure
ExactMass
ID
Apramycin
1 spectrum
C21H41N5O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
539.28027
LC-ESI-IT; MS2; m/z: 540; [M+H]+
MSBNK-Keio_Univ-KO008806
Arachidonic acid
1 spectrum
C20H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.24023
LC-ESI-IT; MS2; m/z: 303.4; [M-H]-
MSBNK-Metabolon-MT000113
Arginine
1 spectrum
C6H14N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.11168
LC-ESI-IT; MS2; m/z: 175.2; [M+H]+
MSBNK-Metabolon-MT000042
Argininosuccinic acid
8 spectra
C10H18N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.12262
LC-ESI-IT; MS2; m/z: 291; [M+H]+
MSBNK-Keio_Univ-KO008844
LC-ESI-IT; MS3; m/z: 291/115; [M+H]+
MSBNK-Keio_Univ-KO008851
LC-ESI-IT; MS3; m/z: 291/116; [M+H]+
MSBNK-Keio_Univ-KO008850
LC-ESI-IT; MS3; m/z: 291/133; [M+H]+
MSBNK-Keio_Univ-KO008849
LC-ESI-IT; MS3; m/z: 291/158; [M+H]+
MSBNK-Keio_Univ-KO008848
LC-ESI-IT; MS3; m/z: 291/176; [M+H]+
MSBNK-Keio_Univ-KO008847
LC-ESI-IT; MS3; m/z: 291/228; [M+H]+
MSBNK-Keio_Univ-KO008846
LC-ESI-IT; MS3; m/z: 291/273; [M+H]+
MSBNK-Keio_Univ-KO008845
Aspartylphenylalanine
1 spectrum
C13H16N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.10593
LC-ESI-IT; MS2; m/z: 281.1; [M+H]+
MSBNK-Metabolon-MT000139
Atropine
2 spectra
C17H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
289.16779
LC-ESI-IT; MS2; m/z: 290; [M+H]+
MSBNK-Keio_Univ-KO008864
LC-ESI-IT; MS3; m/z: 290/124; [M+H]+
MSBNK-Keio_Univ-KO008865
Bentazon
2 spectra
C10H12N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.05685
LC-ESI-IT; MS2; m/z: 241; [M+H]+
MSBNK-Keio_Univ-KO008894
LC-ESI-IT; MS3; m/z: 241/199; [M+H]+
MSBNK-Keio_Univ-KO008895
Berberine
3 spectra
[C20H18NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.12357
LC-ESI-IT; MS2; m/z: 336; [M+H]+
MSBNK-Keio_Univ-KO008886
LC-ESI-IT; MS3; m/z: 336/292; [M+H]+
MSBNK-Keio_Univ-KO008888
LC-ESI-IT; MS3; m/z: 336/321; [M+H]+
MSBNK-Keio_Univ-KO008887
Bestatin
4 spectra
C16H24N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.17361
LC-ESI-IT; MS2; m/z: 309; [M+H]+
MSBNK-Keio_Univ-KO009090
LC-ESI-IT; MS3; m/z: 309/120; [M+H]+
MSBNK-Keio_Univ-KO009093
LC-ESI-IT; MS3; m/z: 309/144; [M+H]+
MSBNK-Keio_Univ-KO009092
LC-ESI-IT; MS3; m/z: 309/196; [M+H]+
MSBNK-Keio_Univ-KO009091
Betaine
1 spectrum
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
LC-ESI-IT; MS2; m/z: 118.2; [M+H]+
MSBNK-Metabolon-MT000002
Bilirubin
1 spectrum
C33H36N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
584.26349
LC-ESI-IT; MS2; m/z: 583.2; [M-H]-
MSBNK-Metabolon-MT000136
Biliverdin
1 spectrum
C33H34N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
582.24780
LC-ESI-IT; MS2; m/z: 583.3; [M+H]+
MSBNK-Metabolon-MT000045
Biotin
4 spectra
C10H16N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.08817
LC-ESI-IT; MS2; m/z: 245; [M+H]+
MSBNK-Keio_Univ-KO008882
LC-ESI-IT; MS3; m/z: 245/227; [M+H]+
MSBNK-Keio_Univ-KO008883
LC-ESI-IT; MS4; m/z: 245/227/166; [M+H]+
MSBNK-Keio_Univ-KO008885
LC-ESI-IT; MS4; m/z: 245/227/209; [M+H]+
MSBNK-Keio_Univ-KO008884
Blasticidin S
6 spectra
C17H26N8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
422.20261
LC-ESI-IT; MS2; m/z: 423; [M+H]+
MSBNK-Keio_Univ-KO008876
LC-ESI-IT; MS3; m/z: 423/295; [M+H]+
MSBNK-Keio_Univ-KO008878
LC-ESI-IT; MS3; m/z: 423/312; [M+H]+
MSBNK-Keio_Univ-KO008877
LC-ESI-IT; MS4; m/z: 423/312/154; [M+H]+
MSBNK-Keio_Univ-KO008881
LC-ESI-IT; MS4; m/z: 423/312/171; [M+H]+
MSBNK-Keio_Univ-KO008880
LC-ESI-IT; MS4; m/z: 423/312/222; [M+H]+
MSBNK-Keio_Univ-KO008879
Bumetanide
6 spectra
C17H20N2O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
364.10928
LC-ESI-IT; MS2; m/z: 365; [M+H]+
MSBNK-Keio_Univ-KO009094
LC-ESI-IT; MS3; m/z: 365/184; [M+H]+
MSBNK-Keio_Univ-KO009098
LC-ESI-IT; MS3; m/z: 365/240; [M+H]+
MSBNK-Keio_Univ-KO009097
LC-ESI-IT; MS3; m/z: 365/284; [M+H]+
MSBNK-Keio_Univ-KO009096
LC-ESI-IT; MS3; m/z: 365/348; [M+H]+
MSBNK-Keio_Univ-KO009095
LC-ESI-IT; MS4; m/z: 365/348/292; [M+H]+
MSBNK-Keio_Univ-KO009099
Butyrylcarnitine
1 spectrum
[C11H22NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.15488
LC-ESI-IT; MS2; m/z: 232.2; [M]+
MSBNK-Metabolon-MT000060
Caffeine
1 spectrum
C8H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.08038
LC-ESI-IT; MS2; m/z: 195.1; [M+H]+
MSBNK-Metabolon-MT000087
Carnitine
1 spectrum
C7H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.10519
LC-ESI-IT; MS2; m/z: 162.2; [M+H]+
MSBNK-Metabolon-MT000082
Chenodeoxycholic acid
1 spectrum
C24H40O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.29266
LC-ESI-IT; MS2; m/z: 391.4; [M-H]-
MSBNK-Metabolon-MT000031
Chloramphenicol
4 spectra
C11H12Cl2N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.01233
LC-ESI-IT; MS2; m/z: 323; [M+H]+
MSBNK-Keio_Univ-KO008918
LC-ESI-IT; MS3; m/z: 323/275; [M+H]+
MSBNK-Keio_Univ-KO008920
LC-ESI-IT; MS3; m/z: 323/305; [M+H]+
MSBNK-Keio_Univ-KO008919
LC-ESI-IT; MS4; m/z: 323/305/241; [M+H]+
MSBNK-Keio_Univ-KO008921
Chlorogenic acid
2 spectra
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.09509
LC-ESI-IT; MS2; m/z: 355; [M+H]+
MSBNK-Keio_Univ-KO008922
LC-ESI-IT; MS3; m/z: 355/163; [M+H]+
MSBNK-Keio_Univ-KO008923
Cholic acid
1 spectrum
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28757
LC-ESI-IT; MS2; m/z: 407.4; [M-H]-
MSBNK-Metabolon-MT000010
Choline
1 spectrum
[C5H14NO]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.10754
LC-ESI-IT; MS2; m/z: 104.2; [M]+
MSBNK-Metabolon-MT000030
Cimetidine
5 spectra
C10H16N6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.11572
LC-ESI-IT; MS2; m/z: 253; [M+H]+
MSBNK-Keio_Univ-KO008913
LC-ESI-IT; MS3; m/z: 253/159; [M+H]+
MSBNK-Keio_Univ-KO008917
LC-ESI-IT; MS3; m/z: 253/172; [M+H]+
MSBNK-Keio_Univ-KO008916
LC-ESI-IT; MS3; m/z: 253/197; [M+H]+
MSBNK-Keio_Univ-KO008915
LC-ESI-IT; MS3; m/z: 253/211; [M+H]+
MSBNK-Keio_Univ-KO008914
Ciprofloxacin
3 spectra
C17H18FN3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.13321
LC-ESI-IT; MS2; m/z: 332; [M+H]+
MSBNK-Keio_Univ-KO008905
LC-ESI-IT; MS3; m/z: 332/288; [M+H]+
MSBNK-Keio_Univ-KO008906
LC-ESI-IT; MS4; m/z: 332/288/268; [M+H]+
MSBNK-Keio_Univ-KO008907
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