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Name
Formula / Structure
ExactMass
ID
acetaminophen_BTP_M3
1 spectrum
C14H17NO8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.09540
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000502
acetaminophen_BTP_M4
1 spectrum
C8H9NO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.02010
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000503
acetaminophen_BTP_M5
1 spectrum
C8H9NO6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.01511
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000504
Acetamiprid
54 spectra
C10H11ClN4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.06721
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01067
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA223901AD6CPH
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA298608
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA298658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA298602
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA298652
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA223903B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA298609
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA223905070APH
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA298603
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA298653
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-Eawag-EA298614
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA298601
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA298651
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA223911C9CFPH
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA298610
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA298604
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA223913D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA298611
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2239155BE0PH
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA298605
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA2239213166PH
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA298612
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA298606
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA2239237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EA298613
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA223925AF82PH
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA298607
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM844801
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311106824
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311106831
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311106836
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311106827
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311106837
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311106826
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311106838
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311106835
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311106832
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311106830
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311106834
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108242
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311106839
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311106833
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311106828
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311106829
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311106825
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU232701
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU232757
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU232702
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU232758
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU232703
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU232704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU232705
LC-ESI-QTOF; MS2; CE: Ramp 18.8-28.2 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU232706
Acetanilide
25 spectra
C8H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.06841
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311095712
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311095718
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311095715
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311095713
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311095716
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311095710
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311095717
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311095711
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095708
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095722
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311095714
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311095709
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311095721
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311095719
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311095720
ACETANILIDE
1 spectrum
C8H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.06841
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010523
Acetanilide
25 spectra
C8H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.06841
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002293
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000195
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002294
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000196
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002295
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000197
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002296
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000198
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002297
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000199
Acetate
5 spectra
C2H4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
60.02113
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000042
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000043
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000044
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000045
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000046
Acetazolamide
36 spectra
C4H6N4O3S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.98810
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU036601
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU036651
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ301101
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ301151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU036602
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU036652
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ301102
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ301152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU036603
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU036653
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ301103
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ301153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU036604
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU036654
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ301104
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ301154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU036605
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU036655
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ301105
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ301155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU036606
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU036656
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ301106
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ301156
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ01772
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ01773
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ01774
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ01775
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ01776
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01766
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01767
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01768
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01769
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01770
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ01771
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01765
ACETHYL VANILLIN
1 spectrum
C10H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.05791
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002941
ACETIC ACID
1 spectrum
C2H4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
60.02113
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009174
ACETIC ACID (3-METHOXY-3-METHYL)BUTYL ESTER
1 spectrum
C8H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.10994
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007670
ACETIC ACID 2-PHENOXYETHYL ESTER
1 spectrum
C10H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.07864
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008043
ACETIC ACID 3-METHOXY-3-METHYLBUTYL ESTER
1 spectrum
C8H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.10994
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008047
ACETIC ACID 3-METHOXYBUTYL ESTER
2 spectra
C7H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.09428
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004299
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008046
ACETIC ACID ALLYL ESTER
1 spectrum
C5H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
100.05243
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001306
ACETIC ACID AMYL ESTER
1 spectrum
C7H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.09938
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001687
ACETIC ACID BENZYL ESTER
1 spectrum
C9H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.06808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001315
ACETIC ACID BUTYL ESTER
1 spectrum
C6H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.08373
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001302
ACETIC ACID ETHYL ESTER
1 spectrum
C4H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
88.05243
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001797
ACETIC ACID HEPTYL ESTER
1 spectrum
C9H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.13068
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001309
ACETIC ACID HEXYL ESTER
1 spectrum
C8H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.11504
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001308
ACETIC ACID ISOBUTYL ESTER
1 spectrum
C6H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.08373
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001303
ACETIC ACID ISOPENTYL ESTER
1 spectrum
C7H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.09938
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001307
ACETIC ACID ISOPROPENYL ESTER
1 spectrum
C5H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
100.05243
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001314
ACETIC ACID ISOPROPYL ESTER
1 spectrum
C5H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.06808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001300
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