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7,211 Hit.
( 1,186 - 1,365 Displayed )
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Name
Formula / Structure
ExactMass
ID
Acetylproline
1 spectrum
C7H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
157.16901
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311152
Acetylputrescine, N-(4-aminobutyl)acetamide, N-ace...
5 spectra
C6H14N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.19099
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049902
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049903
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049904
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104990
ACETYLSALICYLIC ACID
1 spectrum
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.04227
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003093
Acetylsalicylic acid
7 spectra
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.04227
EI-B; MS; n TMS; RT: 592.29 s
MSBNK-GL_Sciences_Inc-GLS00125
GC-EI-TOF; MS; n TMS; RT:556.862 sec
MSBNK-Osaka_Univ-OUF00091
LC-ESI-Q; MS; NEG; 15 V
MSBNK-Waters-WA000530
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA000529
LC-ESI-Q; MS; NEG; 45 V
MSBNK-Waters-WA000528
LC-ESI-Q; MS; NEG; 60 V, 90 V
MSBNK-Waters-WA000527
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP011211
Acetylsulfamethoxazole
16 spectra
C12H13N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.06271
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311108954
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311108943
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311108948
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311108947
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311108956
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311108949
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311108942
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311108955
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311108944
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108941
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108952
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311108950
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311108946
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311108951
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311108953
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311108945
Acetyltriethyl citrate
8 spectra
C14H22O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
318.13147
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000319
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000321
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000320
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-AN111414
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-AN111415
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-AN111416
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-AN111417
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-AN111413
ACETYLVANILLIN
1 spectrum
C10H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.05791
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008261
Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,...
6 spectra
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065704
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065705
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065707
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065708
Achillin
3 spectra
C15H18O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.12560
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80682
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80681
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80680
Acibenzolar-S-methyl
7 spectra
C8H6N2OS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
209.99216
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10 V
MSBNK-MSSJ-MSJ02752
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20 V
MSBNK-MSSJ-MSJ02753
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30 V
MSBNK-MSSJ-MSJ02754
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40 V
MSBNK-MSSJ-MSJ02755
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50 V
MSBNK-MSSJ-MSJ02756
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60 V
MSBNK-MSSJ-MSJ02757
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02751
Acid Orange 156
6 spectra
C21H20N4O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
440.11545
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001259
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001256
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001258
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001261
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001257
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001260
Acid Orange 7 (free acid)
2 spectra
C16H12N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.05179
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM821801
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM821851
Acid Red 1
16 spectra
C18H15N3O8S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
465.03009
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311091533
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311091536
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311091528
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311091531
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311091526
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311091529
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311091524
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311091532
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311091527
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091523
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091525
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311091530
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311091535
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311091534
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311091537
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311091522
Acid Red 337
3 spectra
C17H12F3N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
411.05005
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000417
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000416
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000415
Acid Yellow 11
3 spectra
C16H14N4O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
358.07358
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000339
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000338
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000337
Acifluorfen
25 spectra
C14H7ClF3NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
360.99649
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-AGILENT-AG000039
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-AGILENT-AG000037
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-AGILENT-AG000038
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU044551
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ303201
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ303251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU044552
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ303202
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ303252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU044553
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ303203
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ303253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU044554
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ303204
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ303254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU044555
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ303205
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ303255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU044556
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ303206
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ303256
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Waters-WA000184
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Waters-WA000185
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Waters-WA000186
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Waters-WA000187
Aclonifen
16 spectra
C12H9ClN2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.03021
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311094411
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311094409
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311094416
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311094420
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311094414
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311094412
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311094408
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311094413
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311094419
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311094407
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311094418
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311094415
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311094417
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311094410
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311094421
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311094422
Aconifine
5 spectra
C34H47NO12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
661.75317
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02231
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02230
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02229
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02232
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000194
Aconine
5 spectra
C25H41NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.60681
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02171
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02170
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02169
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02172
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000189
Aconitic acid
2 spectra
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.01643
GC-EI-TOF; MS; n TMS; RT:663.645 sec
MSBNK-Osaka_Univ-OUF00095
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309126
Aconitic acid (not validated, isomer of 271)
1 spectrum
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310804
Aconitic acid (not validated, isomer of 273)
1 spectrum
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310803
Aconitin
20 spectra
C34H47NO11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
645.31488
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002479
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003622
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003623
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002480
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002481
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002482
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002483
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002874
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002875
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002876
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002877
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002878
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003254
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003255
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003256
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003257
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003258
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003619
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003620
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003621
ACONITINE
1 spectrum
C34H47NO11
645.31488
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005740
Aconitine
19 spectra
C34H47NO11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
645.31488
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000040
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00578
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00579
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00580
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00577
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000193
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300718
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300722
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300727
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300732
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300736
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300741
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300746
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300751
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300756
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300760
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300764
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300768
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310652
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