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Name
Formula / Structure
ExactMass
ID
Nonaethylene glycol
32 spectra
C18H38O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
414.24649
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+Na]+
UP000385
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+Na]+
UP000521
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+Na]+
UP000533
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+Na]+
UP000535
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+Na]+
UP000386
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+Na]+
UP000429
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+Na]+
UP000387
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+Na]+
UP000430
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+Na]+
UP000388
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+Na]+
UP000431
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+Na]+
UP000389
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+Na]+
UP000432
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+Na]+
UP000433
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+Na]+
UP000465
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+Na]+
UP000464
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+Na]+
UP000483
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+Na]+
UP000467
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+Na]+
UP000482
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+Na]+
UP000466
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+Na]+
UP000485
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+Na]+
UP000484
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+Na]+
UP000498
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+Na]+
UP000468
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+Na]+
UP000510
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+Na]+
UP000500
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+Na]+
UP000511
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+Na]+
UP000509
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+Na]+
UP000522
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+Na]+
UP000499
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+Na]+
UP000534
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+Na]+
UP000523
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+Na]+
UP000536
Norethisterone / norethindrone
4 spectra
C20H26O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.19330
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF415003
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF415001
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF415004
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF415002
Norharman
1 spectrum
C11H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.06870
LC-ESI-QFT; MS2; CE: 61.67%; R=35000; [M+H]+
UA007501
o-Dianisidine
4 spectra
C14H16N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.12120
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF414003
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414001
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414004
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF414002
o-Toluidine
1 spectrum
C7H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
107.07350
LC-ESI-QFT; MS2; CE: 61.67%; R=35000; [M+H]+
UA007201
Octaethylene glycol
24 spectra
C16H34O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
370.22031
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+Na]+
UP000390
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+Na]+
UP000391
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+Na]+
UP000434
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+Na]+
UP000392
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+Na]+
UP000435
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+Na]+
UP000393
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+Na]+
UP000436
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+Na]+
UP000394
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+Na]+
UP000437
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+Na]+
UP000438
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+Na]+
UP000470
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+Na]+
UP000469
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+Na]+
UP000487
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+Na]+
UP000472
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+Na]+
UP000486
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+Na]+
UP000471
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+Na]+
UP000489
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+Na]+
UP000488
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+Na]+
UP000512
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+Na]+
UP000513
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+Na]+
UP000524
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+Na]+
UP000537
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+Na]+
UP000525
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+Na]+
UP000538
Ofloxacin
4 spectra
C18H20FN3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
361.14380
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF407503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF407501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF407504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF407502
p-Toluenesulfonamide
4 spectra
C7H9NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
171.03540
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF418503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF418501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF418504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF418502
Paroxetine
4 spectra
C19H20FNO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.14270
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF407903
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF407901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF407904
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF407902
Pendimethalin
4 spectra
C13H19N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.13760
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF405903
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF405901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF405904
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF405902
Pethoxamid
4 spectra
C16H22ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.13391
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF406203
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF406201
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF406204
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF406202
Phenazone / antipyrine
6 spectra
C11H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.09500
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF406803
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+Na]+
UF406835
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF406801
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF406804
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+Na]+
UF406836
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF406802
Phenylbenzimidazole sulfonic acid
4 spectra
C13H10N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.04120
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF417253
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF417251
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF417254
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF417252
PHIP
3 spectra
C13H12N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.10620
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000903
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA000904
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000901
Picolinafen
4 spectra
C19H12F4N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.08350
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF406503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF406501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF406504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF406502
Pindolol
4 spectra
C14H20N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
248.15250
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF409803
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF409801
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF409804
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF409802
Pirimicarb
4 spectra
C11H18N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.14301
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF403903
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403904
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF403902
Pirimiphos-methyl
7 spectra
C11H20N3O3PS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
305.09631
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF402803
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M]+
UF402819
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF402801
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF402804
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M]+
UF402817
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF402802
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M]+
UF402818
Primidone
4 spectra
C12H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.10550
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF409503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF409501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF409504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF409502
Prochloraz
2 spectra
C15H16Cl3N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
375.03079
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF405803
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF405804
Progesterone
4 spectra
C21H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.22461
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF415103
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF415101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF415104
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF415102
Prometryn
4 spectra
C10H19N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
241.13609
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF403703
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403701
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403704
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF403702
Propiconazole
4 spectra
C15H17Cl2N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
341.06979
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF403503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF403502
Propoxycarbazone
8 spectra
C15H18N4O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
398.08960
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF401403
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF401453
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF401401
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF401404
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF401451
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF401454
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF401402
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF401452
Propranolol
1 spectrum
C16H21NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
259.15720
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
UA006101
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