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Name
Formula / Structure
ExactMass
ID
Cer[NS] d41:1
4 spectra
C41H81NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
636.10303
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00045
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00046
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00431
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00432
Cer[NS] d41:2
2 spectra
C41H79NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
634.08698
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00058
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00444
Cer[NS] d42:1
2 spectra
C42H83NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
650.13000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00047
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00433
Cer[NS] d42:2
6 spectra
C42H81NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
648.11401
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00048
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00049
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00059
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00434
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00435
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00445
Cer[NS] d42:3
6 spectra
C42H79NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
646.09802
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00050
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00051
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00060
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00436
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00437
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00446
Cer[NS] d42:4
2 spectra
C42H77NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
644.08197
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00061
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00447
Cer[NS] d43:1
2 spectra
C43H85NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
664.15698
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00052
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00438
Cer[NS] d43:2
4 spectra
C43H83NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
662.14099
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00053
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00062
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00439
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00448
Cer[NS] d43:3
2 spectra
C43H81NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
660.12500
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00063
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00449
Cer[NS] d44:1
2 spectra
C44H87NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
678.18402
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00067
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00453
Cer[NS] d44:2
4 spectra
C44H85NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
676.16803
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00064
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00068
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00450
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00454
Cer[NS] d44:3
2 spectra
C44H83NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
674.15198
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00065
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00451
Cer[NS] d45:1
2 spectra
C45H89NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
692.21100
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00069
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00455
Cer[NS] d46:1
2 spectra
C46H91NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
706.23798
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00070
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00456
Cer[NS] d46:2
2 spectra
C46H89NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
704.22198
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00071
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00457
Cer[NS] d48:2
2 spectra
C48H93NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
732.27600
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00072
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00458
Cercosporin
5 spectra
C29H26O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
534.15259
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000540
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000541
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000542
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000543
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000544
Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocho...
3 spectra
C14H26N4O11P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
488.33099
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT101910
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT101913
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT201910
Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocho...
8 spectra
C14H26N4O11P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
488.33099
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019104
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019105
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019106
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019107
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019108
Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign...
2 spectra
C14H26N4O11P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
488.33099
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT107070
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT207070
Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign...
5 spectra
C14H26N4O11P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
488.33099
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070704
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070705
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070706
Cerulenin
1 spectrum
C12H17NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
223.12083
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100440
CERVICARCIN
2 spectra
C19H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.11072
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000138
FD-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000139
Cetirizine
82 spectra
C21H25ClN2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.15536
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA046601AD6CPH
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA277208
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA277258
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA277202
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA277252
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA046603B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA277209
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA046605070APH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA277259
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA277203
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA277253
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA277214
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA277264
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA277201
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA277251
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF411003
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF411053
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA046611C9CFPH
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA277210
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA277260
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA277204
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA277254
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA046613D9F1PH
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF411001
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF411004
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF411051
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF411054
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA277211
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0466155BE0PH
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA277205
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0466213166PH
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA277212
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA277206
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0466237762PH
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF411002
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF411052
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA046625AF82PH
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA277213
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA277207
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA000964
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000963
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000962
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000961
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000960
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000959
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000958
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM858203
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM858253
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311092472
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311106884
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311092477
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311106887
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311092481
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311106883
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311106889
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311106894
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311106893
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311106895
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311092476
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311106891
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311092480
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311106896
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092474
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092483
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311106888
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311106897
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311092482
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311106890
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311092475
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311106885
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311092478
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311106892
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311092473
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311106886
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311092479
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311106882
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU212401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU212402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU212403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU212404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU212405
LC-ESI-QTOF; MS2; CE: Ramp 23.4-35.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU212406
Cetirizine dihydrochloride
12 spectra
C21H25ClN2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.15540
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU053501
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU053551
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU053502
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU053552
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU053503
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU053553
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU053504
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU053554
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU053505
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU053555
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU053506
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU053556
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