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Name
Formula / Structure
ExactMass
ID
1H-Benzotriazole-5-carboxylic acid
9 spectra
C7H5N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.03818
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
MSBNK-Eawag-EQ318457
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
MSBNK-Eawag-EQ318458
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ318451
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
MSBNK-Eawag-EQ318459
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ318452
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ318453
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ318454
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ318455
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ318456
1H-Isoindole-1,3(2H)-diimine
3 spectra
C8H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.06400
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001718
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001719
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001717
1H-Isoindole-1,3(2H)-dione
2 spectra
C8H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.03200
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA002004
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA002002
1mPFOS
6 spectra
C8HF17O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.93750
LC-ESI-QQ; MS2; CE10eV
MSBNK-PFOS_research_group-FFF00330
LC-ESI-QQ; MS2; CE20eV
MSBNK-PFOS_research_group-FFF00331
LC-ESI-QQ; MS2; CE30eV
MSBNK-PFOS_research_group-FFF00332
LC-ESI-QQ; MS2; CE40eV
MSBNK-PFOS_research_group-FFF00333
LC-ESI-QQ; MS2; CE50eV
MSBNK-PFOS_research_group-FFF00334
LC-ESI-QQ; MS2; CE60eV
MSBNK-PFOS_research_group-FFF00335
2',2'-Difluoro-2'-deoxyuridine
6 spectra
C9H10F2N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.05579
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA264959
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA264951
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA264955
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA264962
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA264956
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EA264963
2',3'-Dideoxythymidine
3 spectra
C10H14N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.09535
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80213
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01404
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80211
2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, (E)...
1 spectrum
C21H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
450.39600
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT208550
2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Mar...
6 spectra
C21H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
450.39600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085507
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085508
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085509
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085510
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085511
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085512
2',4',5'-Trihydroxybutyrophenone
3 spectra
C10H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.07356
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002355
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002356
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002357
2',4',6'-Trihydroxyaceto-phenone
1 spectrum
C8H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.04227
MALDI-TOF; MS; Neg
MSBNK-Osaka_MCHRI-MCH00012
2',4'-Dihydroxychalcone
4 spectra
C15H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.07860
LC-ESI-QTOF; MS
MSBNK-BS-BS003776
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003778
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003777
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003775
2',4,4'-Trihydroxychalcone
1 spectrum
C15H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.25699
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309368
2',4-Dihydroxychalcone
5 spectra
C15H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.07864
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80218
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01302
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01307
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01312
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80216
2',6'-Dihydroxy-4-methoxychalcone-4'-O-neohesperid
22 spectra
C28H34O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
594.56598
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305635
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305636
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305640
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305641
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305645
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305646
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305650
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305651
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305655
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305659
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305660
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305664
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305668
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305669
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305673
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305674
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305678
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305679
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305683
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305687
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308812
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308814
2',6-Dihydroxyflavanone
5 spectra
C15H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.07355
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80228
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01512
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01520
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01528
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80226
2',6-Dihydroxyflavone
5 spectra
C15H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.05791
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80233
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01513
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01521
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01529
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80231
2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deox...
2 spectra
C10H14N5O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.22699
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014208
2'-Deoxyadenosine
2 spectra
C10H13N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
251.10184
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80248
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80246
2'-Deoxyadenosine 5'-monophosphate
1 spectrum
C10H14N5O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.06818
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100521
2'-Deoxyadenosine-5'-monophosphoric acid
1 spectrum
C10H14N5O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.06818
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80251
2'-Deoxycytidine
8 spectra
C9H13N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
227.09061
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80258
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000609
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000610
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000611
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000612
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000613
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100522
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80256
2'-Deoxycytidine 5'-diphosphate
1 spectrum
C9H15N3O10P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
387.02328
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100523
2'-Deoxycytidine 5'-monophosphate
3 spectra
C9H14N3O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
307.05695
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01202
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01207
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80261
2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine...
1 spectrum
C9H13N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
227.22000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014407
2'-Deoxycytidine-5'-diphosphate sodium salt
1 spectrum
C9H15N3O10P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
387.18201
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT201450
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