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Name
Formula / Structure
ExactMass
ID
3-chloro-2-hydroxypropane-1-sulfonate
6 spectra
C3H7ClO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.97540
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU030951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU030952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU030953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU030954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU030955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU030956
3-Dimethylaminophenol
6 spectra
C8H11NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.08411
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU073901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU073902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU073903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU073904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU073905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU073906
3-Ethoxy-4-hydroxybenzaldehyde
6 spectra
C9H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.06300
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU087451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU087452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU087453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU087454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU087455
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU087456
3-Ethylphenol
6 spectra
C8H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
122.07320
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU045151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU045152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU045153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU045154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU045155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU045156
3-Hydroxy-2-naphthoic acid
10 spectra
C11H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.04730
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU084651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU084652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU084603
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU084653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU084604
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU084654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU084605
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU084655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU084606
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU084656
3-Hydroxy-2-naphthoic o-anisidide
11 spectra
C18H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
293.10519
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU064901
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU064951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU064902
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU064952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU064903
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU064953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU064904
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU064954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU064955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU064906
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU064956
3-Hydroxy-4-butyrophenetidide
12 spectra
C12H17NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
223.12080
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU077001
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU077051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU077002
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU077052
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU077003
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU077053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU077004
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU077054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU077005
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU077055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU077006
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU077056
3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxami...
6 spectra
C17H12N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.07971
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU075651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU075652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU075653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU075654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU075655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU075656
3-Hydroxyfluorene
6 spectra
C13H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.07320
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU104351
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU104352
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU104353
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU104354
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU104355
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU104356
3-Methyl-1-phenyl-1H-pyrazol-5-amine
6 spectra
C10H11N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.09531
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU101101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU101102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU101103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU101104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU101105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU101106
3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
6 spectra
C9H11NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.08411
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU118601
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU118602
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU118603
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU118604
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU118605
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU118606
3-Methyl-N-phenylaniline
6 spectra
C13H13N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.10480
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU073101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU073102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU073103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU073104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU073105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU073106
3-Methylbenzoic acid
4 spectra
C8H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.05240
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU080251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU080252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU080253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU080254
3-nitrobenzoic acid
6 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02190
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU047351
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU047352
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU047353
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU047354
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU047355
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU047356
3-Nitrobenzoic acid
6 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02190
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU074051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU074052
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU074053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU074054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU074055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU074056
3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)bu...
6 spectra
C11H11N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
233.08000
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU038751
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU038752
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU038753
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU038754
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU038755
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU038756
3-Phenoxybenzoic acid
6 spectra
C13H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.06300
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU096551
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU096552
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU096553
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU096554
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU096555
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU096556
3-Thiatetradecanoic acid
5 spectra
C13H26O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.16541
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU015451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU015452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU015453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU015454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU015455
3-Trifluoromethyl-4-nitrophenol
6 spectra
C7H4F3NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.01430
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU115651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU115652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU115653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU115654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU115655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU115656
4,4`-(4-Methylpentane-2,2-diyl)diphenol
12 spectra
C18H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.16199
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU117801
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU117851
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU117802
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU117852
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU117803
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU117853
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU117804
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU117854
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU117805
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU117855
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU117806
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU117856
4,4`-(9H-Fluorene-9,9-diyl)diphenol
2 spectra
C25H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
350.13071
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU061954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU061955
4,4`-Bipyridine
6 spectra
C10H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.06870
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU052401
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU052402
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU052403
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU052404
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU052405
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU052406
4,4`-Methylenebis(2,6-diethylaniline)
6 spectra
C21H30N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.24091
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU031501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU031502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU031503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU031504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU031505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU031506
4,4`-Methylenebis(2-methylaniline)
6 spectra
C15H18N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.14700
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU032201
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU032202
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU032203
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU032204
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU032205
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU032206
4,4`-Methylenebis(N,N-dimethylaniline)
6 spectra
C17H22N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.17830
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU128501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU128502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU128503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU128504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU128505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU128506
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