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Name
Formula / Structure
ExactMass
ID
N-Formyl-4-aminoantipyrine
6 spectra
C12H13N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.10078
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270104
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270105
LC-ESI-QTOF; MS2; CE: Ramp 19.2-28.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270106
N-isopropyl-N'-phenyl-p-phenylenediamine
6 spectra
C15H18N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.14700
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242505
LC-ESI-QTOF; MS2; CE: Ramp 19.0-28.5 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242506
N-Methyl-2-pyrrolidone
1 spectrum
C5H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
99.06841
LC-ESI-QTOF; MS2; CE: Ramp 14.4-21.6 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU277806
N-Methyldodecylamine
4 spectra
C13H29N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
199.23000
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285003
LC-ESI-QTOF; MS2; CE: Ramp 18.0-27.0 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285006
N-methylperfluorooctane sulfonamidoacetic acid (N-...
4 spectra
C11H6F17NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.97461
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU593950
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU593951
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU593952
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU593953
N-Nitrosofenfluramine
5 spectra
C12H15F3N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.11365
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211602
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211603
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211604
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211605
n-Octyl acrylate
1 spectrum
C11H20O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.14630
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU502801
N-Phenyl-1-naphthylamine
6 spectra
C16H13N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.10480
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242602
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242603
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242604
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242605
LC-ESI-QTOF; MS2; CE: Ramp 18.7-28.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242606
N4-Acetyl-Sulfamethoxazole
9 spectra
C12H13N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.06268
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201401
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU201451
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201402
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU201452
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201403
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU201453
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201404
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU201454
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201405
N4-Acetylsulfadiazine
5 spectra
C12H12N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
292.06302
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201301
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201302
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201303
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201304
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201305
N4-Acetylsulfadimethoxine
4 spectra
C14H16N4O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.08414
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201104
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201105
N4-Acetylsulfamethazine
5 spectra
C14H16N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
320.09430
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201205
N4-Acetylsulfathiazole
5 spectra
C11H11N3O3S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.02417
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201003
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201004
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU201005
Naphthalene
5 spectra
C10H8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
128.06261
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU592017
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU592018
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU592019
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU592004
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU592020
Napropamide
5 spectra
C17H21NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.15723
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU357301
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU357302
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU357303
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU357304
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU357305
Naproxen
6 spectra
C14H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.09430
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU265101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU265102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU265103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU265104
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU265105
LC-ESI-QTOF; MS2; CE: Ramp 19.1-28.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU265106
Nicosulfuron
6 spectra
C15H18N6O6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.10086
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253205
LC-ESI-QTOF; MS2; CE: Ramp 23.8-35.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253206
Niflumic acid
3 spectra
C13H9F3N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.06161
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU115404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU115405
LC-ESI-QTOF; MS2; CE: Ramp 21.0-31.5 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU115401
Nitrazepam
1 spectrum
C15H11N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.08005
LC-ESI-QTOF; MS2; CE: RAMP 21.0-31.4 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153506
Nitrendipin
11 spectra
C18H20N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
360.13214
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU230901
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU230957
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU230902
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU230958
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU230903
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU230959
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU230904
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU230960
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU230905
LC-ESI-QTOF; MS2; CE: Ramp 22.8-34.2 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU230906
LC-ESI-QTOF; MS2; CE: Ramp 26.4-39.5 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU230962
Nitrofurantoin
5 spectra
C8H6N4O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.03381
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU236101
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU236157
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU236102
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU236104
LC-ESI-QTOF; MS2; CE: Ramp 19.4-29.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU236106
Nonanal
1 spectrum
C9H18O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.13580
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU503001
Norbuprenorphine
10 spectra
C25H35NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.25662
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166405
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166407
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166408
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166409
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166410
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU166411
Norclozapine
9 spectra
C17H17ClN4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.11417
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU156302
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU156303
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU156304
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU156305
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU156307
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU156308
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU156309
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU156310
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU156311
Nordeprenyl
3 spectra
C12H15N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.12045
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211803
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