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Name
Formula / Structure
ExactMass
ID
acetaminophen_BTP_M1
1 spectrum
C8H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.05820
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000501
acetaminophen_BTP_M3
1 spectrum
C14H17NO8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.09540
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000502
acetaminophen_BTP_M4
1 spectrum
C8H9NO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.02010
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000503
acetaminophen_BTP_M5
1 spectrum
C8H9NO6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.01511
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000504
Amitriptyline
1 spectrum
C20H23N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
277.18301
LC-ESI-FT; MS2; CE: 20,40,130%; R=30000; [M+H]+
MSBNK-UoB-XB000300
amitriptyline_BTP_M10
1 spectrum
C25H29NO7
455.19440
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000305
amitriptyline_BTP_M11
1 spectrum
C26H31NO7
469.21011
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000306
amitriptyline_BTP_M2
1 spectrum
C19H21NO
279.16229
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000301
amitriptyline_BTP_M3
1 spectrum
C19H21N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.16739
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000302
amitriptyline_BTP_M4
1 spectrum
C20H23NO
293.17801
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000303
amitriptyline_BTP_M5
1 spectrum
C19H21NO4S
359.11911
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000304
atorvastatin
1 spectrum
C33H35FN2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
558.25299
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000700
atorvastatin_BTP_M1
1 spectrum
C33H33FN2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
540.24237
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000701
bisoprolol
1 spectrum
C17H29NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
311.20969
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000800
KU60648
1 spectrum
C33H34N4O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
582.23010
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000200
KU60648_BTP_M1
1 spectrum
C33H36N4O6S
616.23560
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000214
KU60648_BTP_M10
1 spectrum
C31H28N2O9S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
604.15161
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000212
KU60648_BTP_M11
1 spectrum
C20H33N3O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
523.20129
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000203
KU60648_BTP_M14
1 spectrum
C31H30N4O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
554.19879
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000205
KU60648_BTP_M15
1 spectrum
C31H32N4O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
572.20929
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000207
KU60648_BTP_M16
1 spectrum
C33H34N4O5S
598.22498
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000210
KU60648_BTP_M18
1 spectrum
C33H32N4O4S
580.21442
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000208
KU60648_BTP_M19
1 spectrum
C33H30N4O5S
594.19373
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000209
KU60648_BTP_M2
1 spectrum
C25H20N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.11951
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000201
KU60648_BTP_M20
1 spectrum
C33H30N4O6S
610.18860
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000213
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