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Name
Formula / Structure
ExactMass
ID
ACETOACETANILIDE
1 spectrum
C10H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.07898
EI-B; MS
JP010831
Acetoacetic acid
1 spectrum
C4H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.03169
GC-EI-TOF; MS; n TMS; RT:582.641 sec
OUF00092
ACETOACETIC ACID METHYL ESTER
1 spectrum
C5H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.04734
CI-B; MS
JP005984
Acetoacetyl coenzyme A sodium salt hydrate , Aceto...
1 spectrum
C25H40N7O18P3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
851.61902
LC-ESI-QQ; MS2
PS016102
ACETOAMINOPHENE
1 spectrum
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06332
EI-B; MS
JP003100
Acetochlor
21 spectra
C14H20ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
269.11771
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA010408
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA010402
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA010409
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA010403
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA010414
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA010401
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA010410
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA010404
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA010411
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA010405
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA010412
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA010406
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA010413
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA010407
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM848201
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU322101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU322102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU322103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU322104
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU322105
LC-ESI-QTOF; MS2; CE: Ramp 20.5-30.8 eV; R=35000; [M+H]+
AU322106
Acetochlor ESA
14 spectra
C14H21NO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
315.11401
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA010358
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA010352
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA010359
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA010353
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA010364
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA010351
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA010360
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA010354
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA010361
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA010355
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA010362
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA010356
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
EA010363
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA010357
Acetochlor OXA
14 spectra
C14H19NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.13141
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA010258
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA010252
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA010259
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA010253
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA010264
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA010251
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA010260
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA010254
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA010261
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA010255
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA010262
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA010256
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
EA010263
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA010257
Acetochlor-ESA
3 spectra
C14H21NO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
315.11404
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU203001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU203002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU203003
Acetochlor-OXA
5 spectra
C14H19NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.13141
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU202901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU202902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU202903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU202904
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU202905
ACETOHEXAMIDE
1 spectrum
C15H20N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.11438
EI-B; MS
JP001418
ACETOIN
1 spectrum
C4H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
88.05243
EI-B; MS
JP009143
ACETOIN ACETATE
1 spectrum
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.06299
EI-B; MS
JP008550
ACETOL ACETATE
1 spectrum
C5H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.04734
EI-B; MS
JP008551
ACETOMETHANOL
1 spectrum
C3H6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
74.03678
EI-B; MS
JP004268
ACETONE
3 spectra
C3H6O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
58.04186
EI-B; MS
JP002344
EI-B; MS
JP006441
EI-B; MS
JP007680
ACETONE (1,1,1,3,3,3-D6)
1 spectrum
C3H6O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
58.04186
EI-B; MS
JP008876
ACETONE DIMETHYL ACETAL
1 spectrum
C5H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.08373
EI-B; MS
JP006252
ACETONE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
1 spectrum
C10H8F5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.05260
EI-B; MS
JP008809
Acetonic Acid, 2-Hydroxy-2-methylpropionic acid, 2...
2 spectra
C4H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.10500
LC-ESI-QQ; MS2
PS007901
LC-ESI-QQ; MS2
PS007907
Acetonic Acid, 2-Methyllactic acid, 2-Hydroxyisobu...
3 spectra
C4H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.10500
LC-ESI-QTOF; MS2
PT100790
LC-ESI-QTOF; MS2
PT200790
LC-ESI-QTOF; MS2
PT200793
ACETONITRILE
3 spectra
C2H3N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
41.02655
EI-B; MS
JP002569
EI-B; MS
JP003999
EI-B; MS
JP008058
Acetophenazine
5 spectra
C23H29N3O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
411.19806
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
CO000016
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
CO000017
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
CO000018
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
CO000019
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
CO000020
ACETOPHENAZINE
1 spectrum
C23H29N3O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
411.19806
EI-B; MS
JP003081
ACETOPHENETIDIN
1 spectrum
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
CI-B; MS
JP003148
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