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CASMI_2016
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622 Hit.
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Name
Formula / Structure
ExactMass
ID
4`-Bromacetanilide
2 spectra
C8H8BrNO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.97893
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM825601
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM825651
5-Aminonaphthalene-2-sulfonic acid
1 spectrum
C10H9NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
223.03030
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM834151
5-Methyl-1-(propan-2-yl)-1H-indole-2,3dione
1 spectrum
C12H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.09464
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM802401
5-Methyl-1H-benzotriazole
1 spectrum
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM821601
5-Methylbenzotriazole
1 spectrum
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM880101
6-Bromo-2(1H)-quinolinone
1 spectrum
C9H6BrNO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.96329
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM834202
6-Ethoxy-2-mercaptobenzothiazole
2 spectra
C9H9NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.01256
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM821703
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM821753
6:2 Fluorotelomer sulfonic acid
1 spectrum
C8H5F13O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.97519
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM883655
7-Amino-4-methylcoumarin
1 spectrum
C10H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.06332
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM884001
7-Diethylamino-4-methylcoumarin
1 spectrum
C14H17NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.12593
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM884302
7-Hydroxymethotrexat
2 spectra
C20H22N8O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
470.16623
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM850501
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM850551
9-Acetylanthracene
1 spectrum
C16H12O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.08882
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM802503
9-Acetylphenanthren
1 spectrum
C16H12O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.08882
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM817001
9-Anthracenecarboxylic acid
1 spectrum
C15H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.06808
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM802652
Abietic acid
1 spectrum
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM833703
Acetaminophen
1 spectrum
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06332
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM866701
Acetamiprid
1 spectrum
C10H11ClN4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.06721
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM844801
Acetochlor
1 spectrum
C14H20ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
269.11826
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM848201
Acetyl-sulfamethoxazole
2 spectra
C12H13N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.06268
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM858902
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM858951
Acid Orange 7 (free acid)
2 spectra
C16H12N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.05179
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM821801
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM821851
Acridinone
2 spectra
C13H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.06841
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM830402
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM830451
Albendazole
2 spectra
C12H15N3O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.08850
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM853502
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM853555
Alizarin
1 spectrum
C14H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.04227
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM802851
Ambroxol
1 spectrum
C13H18Br2N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
375.97858
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM849201
Ametryn
1 spectrum
C9H17N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
227.12047
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM842801
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