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MPI_for_Chemical_Ecology
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Name
Formula / Structure
ExactMass
ID
Phlorizin
5 spectra
C21H24O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
436.13696
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000071
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000072
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000073
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000074
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000075
Proline
18 spectra
C5H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
115.06333
LC-ESI-ITFT; MS2; CE 10.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000639
LC-ESI-ITFT; MS2; CE 15.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000622
LC-ESI-ITFT; MS2; CE 20.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000626
LC-ESI-ITFT; MS2; CE 25.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000624
LC-ESI-ITFT; MS2; CE 30.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000634
LC-ESI-ITFT; MS2; CE 35.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000627
LC-ESI-ITFT; MS2; CE 40.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000628
LC-ESI-ITFT; MS2; CE 45.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000636
LC-ESI-ITFT; MS2; CE 5.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000633
LC-ESI-ITFT; MS2; CE 50.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000629
LC-ESI-ITFT; MS2; CE 55.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000635
LC-ESI-ITFT; MS2; CE 60.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000631
LC-ESI-ITFT; MS2; CE 65.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000630
LC-ESI-ITFT; MS2; CE 70.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000638
LC-ESI-ITFT; MS2; CE 75.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000625
LC-ESI-ITFT; MS2; CE 80.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000632
LC-ESI-ITFT; MS2; CE 85.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000637
LC-ESI-ITFT; MS2; CE 90.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000623
Quercetin
4 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04266
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000168
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000169
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000170
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000171
Reserpine
7 spectra
C33H40N2O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
608.27338
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000146
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000147
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000148
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000149
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000150
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000151
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000152
Resveratrol
5 spectra
C14H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
228.07864
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000093
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000094
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000095
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000096
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000097
Rhamnose
1 spectrum
C6H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.06848
LC-ESI-ITFT; MS2; CE 46 eV; [M+Na]+
MSBNK-MPI_for_Chemical_Ecology-CE000428
Rifampicin
5 spectra
C43H58N4O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
822.40515
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000181
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000182
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000183
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000184
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000185
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
Rutin
5 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; 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
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
Serine
15 spectra
C3H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
105.04259
LC-ESI-ITFT; MS2; HCD; CE 10.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000504
LC-ESI-ITFT; MS2; HCD; CE 15.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000490
LC-ESI-ITFT; MS2; HCD; CE 20.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000493
LC-ESI-ITFT; MS2; HCD; CE 25.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000491
LC-ESI-ITFT; MS2; HCD; CE 30.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000500
LC-ESI-ITFT; MS2; HCD; CE 35.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000494
LC-ESI-ITFT; MS2; HCD; CE 40.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000495
LC-ESI-ITFT; MS2; HCD; CE 45.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000502
LC-ESI-ITFT; MS2; HCD; CE 5.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000499
LC-ESI-ITFT; MS2; HCD; CE 50.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000496
LC-ESI-ITFT; MS2; HCD; CE 55.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000501
LC-ESI-ITFT; MS2; HCD; CE 60.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000498
LC-ESI-ITFT; MS2; HCD; CE 65.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000497
LC-ESI-ITFT; MS2; HCD; CE 70.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000503
LC-ESI-ITFT; MS2; HCD; CE 75.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000492
Sinapine
5 spectra
[C16H24NO5]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.16544
LC-ESI-ITFT; MS2; CE 35 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000051
LC-ESI-ITFT; MS2; CE 45 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000052
LC-ESI-ITFT; MS2; CE 55 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000053
LC-ESI-ITFT; MS2; CE 70 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000054
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000055
Sorbitol
1 spectrum
C6H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.07904
LC-ESI-ITFT; MS2; CE 20 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000234
Tetrahydropapaveroline
5 spectra
C16H17NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.11575
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000103
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000104
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000105
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000106
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000107
Threonine
20 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.05824
LC-ESI-ITFT; MS2; CE 10.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000427
LC-ESI-ITFT; MS2; CE 15.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000408
LC-ESI-ITFT; MS2; CE 20.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000412
LC-ESI-ITFT; MS2; CE 25.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000410
LC-ESI-ITFT; MS2; CE 30.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000422
LC-ESI-ITFT; MS2; CE 35.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000413
LC-ESI-ITFT; MS2; CE 40.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000416
LC-ESI-ITFT; MS2; CE 45.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000424
LC-ESI-ITFT; MS2; CE 5.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000421
LC-ESI-ITFT; MS2; CE 50.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000417
LC-ESI-ITFT; MS2; CE 55.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000423
LC-ESI-ITFT; MS2; CE 60.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000419
LC-ESI-ITFT; MS2; CE 65.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000418
LC-ESI-ITFT; MS2; CE 70.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000426
LC-ESI-ITFT; MS2; CE 75.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000411
LC-ESI-ITFT; MS2; CE 80.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000420
LC-ESI-ITFT; MS2; CE 85.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000425
LC-ESI-ITFT; MS2; CE 9.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000415
LC-ESI-ITFT; MS2; CE 90.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000409
LC-ESI-ITFT; MS2; CE 95.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000414
Trans-Zeatin
1 spectrum
C10H13N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.11201
LC-ESI-ITFT; MS2; CE 47.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000580
Trans-Zeatin-7-glucoside-[d5]
1 spectrum
C16H23N5O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
381.16483
LC-ESI-ITFT; MS2; CE 14.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000523
Trans-Zeatin-9-glucoside
1 spectrum
C16H23N5O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
381.16483
LC-ESI-ITFT; MS2; CE 28.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000238
Trans-Zeatin-9-glucoside-[d5]
1 spectrum
C16H23N5O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
381.16483
LC-ESI-ITFT; MS2; CE 14.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000316
Trans-Zeatin-[d5]
1 spectrum
C10H13N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.11201
LC-ESI-ITFT; MS2; CE 15.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000307
Trans-Zeatin-o-glucoside
1 spectrum
C16H23N5O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
381.16483
LC-ESI-ITFT; MS2; CE 28.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000471
Trans-Zeatin-riboside
1 spectrum
C15H21N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
351.15427
LC-ESI-ITFT; MS2; CE 24.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000542
Trans-Zeatin-riboside-[d5]
1 spectrum
C15H21N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
351.15427
LC-ESI-ITFT; MS2; CE 13.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000621
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