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Name
Formula / Structure
ExactMass
ID
Atrazine-desethyl-2-hydroxy
33 spectra
C6H11N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.09641
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000083
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000033
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA027708
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA027758
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA027702
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA027752
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA027709
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA027759
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA027703
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA027753
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA027714
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA027701
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA027751
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA027710
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA027760
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA027704
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA027754
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA027711
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA027761
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA027705
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA027755
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA027712
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA027762
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA027706
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA027756
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA027713
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA027707
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000154
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000228
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU202351
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU202302
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU202303
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU202304
Atrazine-desethyl-desisopropyl
9 spectra
C3H4ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.01550
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-Eawag-EQ339307
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EQ339301
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+
MSBNK-Eawag-EQ339308
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+
MSBNK-Eawag-EQ339309
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EQ339302
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EQ339303
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EQ339304
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EQ339305
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EQ339306
Atrazine-desisopropyl
16 spectra
C5H8ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.04680
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000084
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000155
Atrazine-Desisopropyl
4 spectra
C5H8ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.04683
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU372601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU372602
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU372603
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU372604
Atrazine-desisopropyl
16 spectra
C5H8ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.04680
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA028708
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA028702
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA028709
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA028703
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA028714
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA028701
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA028710
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA028704
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA028711
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA028705
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA028712
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA028706
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA028713
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA028707
Atrazine-desisopropyl-2-hydroxy
23 spectra
C5H9N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.08070
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311092242
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311096286
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311092243
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311096283
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311092238
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311092235
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311096285
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311092240
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311096281
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092239
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092241
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311096277
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311096284
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311092244
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311096278
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311092233
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311096282
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311092237
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311096279
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311092234
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311096287
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311092236
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311096280
Atrazine-despropyl (PROBABLE)
1 spectrum
C5H8ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.04601
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002822
Atrazine-despropyl-desethyl (TENTATIVE)
1 spectrum
C3H4ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.01460
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002821
Atrazine-OH (TENTATIVE)
4 spectra
C8H14ClN5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.08771
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002827
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002828
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002829
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002830
Atropine
59 spectra
C17H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
289.16779
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80802
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
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002419
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003562
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003563
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002420
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002421
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002422
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002423
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002814
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002815
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002816
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002817
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002818
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003194
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003195
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003196
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003197
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003198
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003559
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003560
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003561
LC-ESI-ITTOF; MS2; [M+H]+
MSBNK-Univ_Toyama-TY000208
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000041
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000927
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000926
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000925
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000924
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000923
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000922
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ333401
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ333402
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ333403
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ333404
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ333405
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ333406
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002223
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002224
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002225
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002226
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002227
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300830
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300834
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300838
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300842
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300846
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300850
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300854
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300857
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300861
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300865
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300869
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300873
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310565
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00603
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00611
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00619
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80800
ATZ_p_188.0697_16.8
1 spectrum
C6H10ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.06250
LC-ESI-QFT; MS2; CE: 85%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET400301
Aucubin
10 spectra
C15H22O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
346.12637
LC-ESI-ITTOF; MS
MSBNK-Univ_Toyama-TY000074
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04111
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01118
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04110
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01119
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04109
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01120
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04112
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01117
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000430
Auramine
3 spectra
C17H21N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.17355
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000527
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000526
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000528
Aurantiamide
5 spectra
C25H26N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
402.19434
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000714
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000715
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000716
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000717
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000718
Aurantiamide acetate
5 spectra
C27H28N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
444.20490
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000709
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000710
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000711
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000712
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000713
Auraptene
5 spectra
C19H22O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.38541
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01954
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01955
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01956
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01953
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000250
Aurofusarin
5 spectra
C30H18O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.07977
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000700
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000701
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000702
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000703
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000704
Auroxanthin
1 spectrum
C40H56O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
600.41785
FAB-EBEB; MS2; m/z: 600.42; [M]+*
MSBNK-Kyoto_Univ-CA000005
Austin
5 spectra
C27H32O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
500.20462
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000827
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000828
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000829
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000830
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000831
Austricin
5 spectra
C15H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
262.30829
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00539
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00538
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00537
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00540
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000435
Austricine
8 spectra
C15H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
262.12051
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80808
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80807
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00523
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00549
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00557
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00564
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80806
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80805
AVE2865
18 spectra
C20H17ClF3N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
455.08597
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001963
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001961
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001960
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001962
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001965
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001964
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU063201
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU063251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU063202
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU063252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU063203
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU063253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU063204
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU063254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU063205
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU063255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU063206
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU063256
AVE3247
18 spectra
C25H24ClN5O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
525.12378
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002001
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001998
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002002
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001997
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002000
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001999
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU060101
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU060151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU060102
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU060152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU060103
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU060153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU060104
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU060154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU060105
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU060155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU060106
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU060156
AVE3295
18 spectra
C25H22FN3O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
463.13660
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001762
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001761
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001764
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001763
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001766
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001765
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU100301
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU100351
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU100302
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU100352
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU100303
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU100353
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU100304
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU100354
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU100305
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU100355
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU100306
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU100356
AVE5638
9 spectra
C25H23FN2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
402.17435
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000265
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000266
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000267
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU047901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU047902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU047903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU047904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU047905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU047906
AVE6324
18 spectra
C31H35ClN4O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
642.19153
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001889
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001884
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001885
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001887
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001886
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001888
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU121901
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU121951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU121902
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU121952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU121903
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU121953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU121904
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU121954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU121905
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU121955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU121906
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU121956
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