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Name
Formula / Structure
ExactMass
ID
PYR_300.1709_10.6
6 spectra
C17H21N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.16339
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
ET171001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
ET171002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
ET171003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
ET171004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
ET171005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
ET171006
PYR_302.1865_11.2
6 spectra
C17H23N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
301.17899
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
ET170101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
ET170102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
ET170103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
ET170104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
ET170105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
ET170106
RAN-dm
9 spectra
C12H20N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.12561
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
ET300107
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
ET300101
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
ET300108
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
ET300109
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
ET300102
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
ET300103
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
ET300104
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
ET300105
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
ET300106
SMZ-AcOH
18 spectra
C12H13N3O5S
311.05759
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
ET310407
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
ET310457
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
ET310401
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
ET310451
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
ET310408
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
ET310458
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
ET310409
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
ET310459
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
ET310402
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
ET310452
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
ET310403
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
ET310453
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
ET310404
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
ET310454
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
ET310405
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
ET310455
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
ET310406
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
ET310456
SMZ-Pt
18 spectra
C17H16N8O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.10150
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
ET310207
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
ET310257
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
ET310201
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
ET310251
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
ET310208
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
ET310258
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
ET310209
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
ET310259
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
ET310202
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
ET310252
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
ET310203
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
ET310253
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
ET310204
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
ET310254
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
ET310205
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
ET310255
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
ET310206
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
ET310256
SMZ-PtO
18 spectra
C17H15N7O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
429.08551
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
ET310307
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
ET310357
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
ET310301
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
ET310351
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
ET310308
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
ET310358
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
ET310309
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
ET310359
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
ET310302
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
ET310352
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
ET310303
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
ET310353
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
ET310304
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
ET310354
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
ET310305
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
ET310355
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
ET310306
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
ET310356
SPA-10C (SAMPLE)
1 spectrum
C16H24O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.13440
LC-ESI-QFT; MS2; HCD65; [M-H]-
ETS00021
SPA-5DC (TENTATIVE)
1 spectrum
C13H16O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
316.06171
LC-ESI-ITFT; MS2; HCD60; [M-H]-
ETS00003
SPA-8C (SAMPLE)
1 spectrum
C14H20O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.10309
LC-ESI-QFT; MS2; HCD65; [M-H]-
ETS00018
SPA-9C (TENTATIVE)
1 spectrum
C15H22O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.11880
LC-ESI-ITFT; MS2; HCD60; [M-H]-
ETS00002
SPI_256.2273_14.6
6 spectra
C15H29NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.21980
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
ET181101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
ET181102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
ET181103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
ET181104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
ET181105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
ET181106
SPI_270.2429_14.9
6 spectra
C16H31NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
269.23550
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
ET181001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
ET181002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
ET181003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
ET181004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
ET181005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
ET181006
SPI_298.2741_15.1
5 spectra
C18H35NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.26682
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
ET180001
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
ET180002
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
ET180003
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
ET180004
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
ET180005
SPI_300.2536_10.7
1 spectrum
C17H33NO3
299.24600
LC-ESI-QFT; MS2; CE: 35; R=17500; [M+H]+
ET181601
SPI_312.2535_12.1
6 spectra
C18H33NO3
311.24600
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
ET181501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
ET181502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
ET181503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
ET181504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
ET181505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
ET181506
SPI_314.2691_12.0
6 spectra
C18H35NO3
313.26169
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
ET180801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
ET180802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
ET180803
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
ET180804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
ET180805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
ET180806
SPI_314.2691_15.4
6 spectra
C18H35NO3
313.26169
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
ET180201
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
ET180202
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
ET180203
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
ET180204
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
ET180205
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
ET180206
SPI_328.2483_12.0
6 spectra
C18H33NO4
327.24100
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
ET180101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
ET180102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
ET180103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
ET180104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
ET180105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
ET180106
SPI_328.2485_15.0
6 spectra
C18H33NO4
327.24100
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
ET180601
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
ET180602
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
ET180603
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
ET180604
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
ET180605
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
ET180606
STA-0DC (TENTATIVE)
1 spectrum
C12H12O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.03036
LC-ESI-ITFT; MS2; HCD60; [M-H]-
ETS00006
STA-4C (TENTATIVE)
1 spectrum
C15H20O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.10309
LC-ESI-ITFT; MS2; HCD60; [M-H]-
ETS00005
TEB_M324a
1 spectrum
C16H22ClN3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.14011
LC-ESI-QFT; MS2; CE: 30; R=70000; [M+H]+
ET250101
TEB_M324b *
1 spectrum
C16H22ClN3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.14011
LC-ESI-QFT; MS2; CE: 30; R=70000; [M+H]+
ET250401
TEB_M324c
1 spectrum
C16H22ClN3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.14011
LC-ESI-QFT; MS2; CE: 30; R=70000; [M+H]+
ET250501
TEB_M388
5 spectra
C16H23ClN3O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
387.11151
LC-ESI-QFT; MS2; CE: 10; R=35000; [M+H]+
ET250201
LC-ESI-QFT; MS2; CE: 20; R=35000; [M+H]+
ET250202
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
ET250203
LC-ESI-QFT; MS2; CE: 50; R=35000; [M+H]+
ET250204
LC-ESI-QFT; MS2; CE: 70; R=35000; [M+H]+
ET250205
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