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Name
Formula / Structure
ExactMass
ID
NPE_255.1491_11.0
6 spectra
C16H18N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.14191
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110706
NPE_255.1491_11.6
6 spectra
C16H18N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.14191
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110601
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110602
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110603
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110604
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110605
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110606
NPE_269.1647_12.5
6 spectra
C17H20N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.15759
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110506
NPE_325.1547_12.8
6 spectra
C19H20N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.14740
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110106
NPE_327.1704_12.2
6 spectra
C19H22N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.16299
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110201
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110202
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110203
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110204
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110205
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET110206
NPEC1
1 spectrum
C17H26O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.18820
LC-ESI-TOF; MS2; 45 V; [M-H]-
MSBNK-Literature_Specs-LIT00039
NPEOx
1 spectrum
C19H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.23511
LC-APCI-Q; MS; [M+H]+
MSBNK-Literature_Specs-LIT00004
NPEOx-SO4
1 spectrum
C19H32O6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.19199
LC-APCI-Q; MS; [M+H]+
MSBNK-Literature_Specs-LIT00015
nPFOA
5 spectra
C8HF15O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.97369
LC-ESI-QQ; MS2; CE10eV
MSBNK-PFOS_research_group-FFF00342
LC-ESI-QQ; MS2; CE20eV
MSBNK-PFOS_research_group-FFF00343
LC-ESI-QQ; MS2; CE30eV
MSBNK-PFOS_research_group-FFF00344
LC-ESI-QQ; MS2; CE40eV
MSBNK-PFOS_research_group-FFF00345
LC-ESI-QQ; MS2; CE50eV
MSBNK-PFOS_research_group-FFF00346
nPFOS
6 spectra
C8HF17O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.93750
LC-ESI-QQ; MS2; CE10eV; [M-H]-
MSBNK-PFOS_research_group-FFF00293
LC-ESI-QQ; MS2; CE20eV; [M-H]-
MSBNK-PFOS_research_group-FFF00294
LC-ESI-QQ; MS2; CE30eV; [M-H]-
MSBNK-PFOS_research_group-FFF00295
LC-ESI-QQ; MS2; CE40eV; [M-H]-
MSBNK-PFOS_research_group-FFF00296
LC-ESI-QQ; MS2; CE50eV; [M-H]-
MSBNK-PFOS_research_group-FFF00297
LC-ESI-QQ; MS2; CE60eV; [M-H]-
MSBNK-PFOS_research_group-FFF00298
NT 2 Toxin
6 spectra
C17H24O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.15219
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002958
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002960
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002962
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002959
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002961
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002963
Nuarimol
23 spectra
C17H12ClFN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.06219
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128607
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128601
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01128651
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128608
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU124401
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU124451
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128609
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128602
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01128652
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU124402
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU124452
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128603
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU124403
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU124453
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128604
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU124404
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU124454
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128605
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU124405
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU124455
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128606
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU124406
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU124456
Nudicauline
5 spectra
C38H50N2O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
710.82898
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02007
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02006
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02005
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02008
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000205
Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric aci...
2 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.14800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT102840
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202840
Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric aci...
4 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.14800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028404
NVE_247.1330_17.3
6 spectra
C15H18O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.12560
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120601
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120602
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120603
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120604
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120605
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120606
NVE_250.1804_10.8
5 spectra
C15H23NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
249.17290
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120101
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120102
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120103
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120104
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120105
NVE_264.1959_12.6
5 spectra
C16H25NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.18851
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120001
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120002
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120003
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120004
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120005
NVE_274.1802_16.6
6 spectra
C17H23NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
273.17291
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120706
NVE_278.1753_15.6
1 spectrum
C16H23NO3
277.16779
LC-ESI-QFT; MS2; CE: (160-0.41mz or 15) NCE; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET121103
NVE_278.1753_8.8
6 spectra
C16H23NO3
277.16779
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET121001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET121002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET121003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET121004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET121005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET121006
NVE_278.1753_9.6
6 spectra
C16H23NO3
277.16779
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120506
NVE_280.1909_11.8
6 spectra
C16H25NO3
279.18341
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120401
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120402
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120403
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120404
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120405
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET120406
Nw-Acetylhistamine
10 spectra
C7H11N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.09021
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002233
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000161
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002234
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000162
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002235
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000163
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002236
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000164
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002237
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000165
Nw-Methyltryptamine
5 spectra
C11H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.11571
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003497
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003498
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003499
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003500
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003501
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