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user manual
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LC-ESI-QFT
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Name
Formula / Structure
ExactMass
ID
1,2,3-Triazole
1 spectrum
C2H3N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
69.03270
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM800003
1,3-Dihydroxyanthraquinone
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]-
SM827751
1,3-Dimethylpteridine-2,4-dione
6 spectra
C8H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.06473
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ310401
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ310402
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ310403
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ310404
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ310405
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ310406
1-(3-carboxypropyl)-3,7-dimethylxanthine
1 spectrum
C11H14N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.10150
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM871101
1-(Methoxymethyl)-1H-benzotriazole
9 spectra
C8H9N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.07455
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ318307
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ318308
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ318301
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ318309
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ318302
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ318303
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ318304
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ318305
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ318306
1-Benzylpiperazine
9 spectra
C11H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.13135
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ282007
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ282008
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ282001
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ282009
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ282002
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ282003
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ282004
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ282005
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ282006
1-Chlorobenzotriazole
18 spectra
C6H4ClN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.00937
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ369407
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ369457
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ369408
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ369458
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ369401
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ369451
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ369409
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
EQ369459
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ369402
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ369452
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ369403
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ369453
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ369404
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ369454
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ369405
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ369455
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ369406
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ369456
1-Hydroxyanthraquinone
1 spectrum
C14H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.04733
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM828451
1-Hydroxybenzotriazole
18 spectra
C6H5N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.04326
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ289907
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ289957
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ289908
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ289958
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ289901
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ289951
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ289909
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
EQ289959
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ289902
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ289952
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ289903
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ289953
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ289904
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ289954
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ289905
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ289955
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ289906
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ289956
1-Methyl-1,2,3-benzotriazole
9 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ279807
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ279808
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ279801
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ279809
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ279802
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ279803
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ279804
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ279805
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ279806
1-Naphthoic acid methyl ester
1 spectrum
C12H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.06808
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM803101
1-Naphthol-5-sulfonic acid
1 spectrum
C10H8O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.01433
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM833051
1-Naphthylamine
1 spectrum
C10H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
143.07350
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM800201
1-[(4-Chlorophenyl)phenylmethyl]piperazine
9 spectra
C17H19ClN2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.12369
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ338307
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ338308
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ338301
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ338309
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ338302
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ338303
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ338304
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ338305
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ338306
10,11-Dihydro-10,11-dihydroxycarbamazepine
1 spectrum
C15H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.10043
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM858102
10-Azabenzo[a]pyrene
1 spectrum
C19H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.08916
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM828302
10phiC10SPC
18 spectra
C16H24O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.13443
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ357007
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ357057
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ357008
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ357058
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ357001
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ357051
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ357009
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
EQ357059
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ357002
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ357052
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ357003
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ357053
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ357004
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ357054
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ357005
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ357055
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ357006
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ357056
10phiC10SPC (STANDARD)
2 spectra
C16H24O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.13440
LC-ESI-QFT; MS2; HCD50; [M-H]-
ETS00019
LC-ESI-QFT; MS2; HCD80; [M-H]-
ETS00020
17-alpha-Ethinylestradiol
1 spectrum
C20H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.17764
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM872102
17a-Ethynylestradiol
6 spectra
C20H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.17764
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ306501
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ306502
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ306503
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ306504
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ306505
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ306506
1H-1,2,3-Triazole
6 spectra
C2H3N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
69.03270
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ318501
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ318502
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ318503
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ318504
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ318505
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ318506
1H-1,2,3-triazole-5-OH
12 spectra
C2H3N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
85.02761
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ318601
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ318651
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ318602
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ318652
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ318603
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ318653
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ318604
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ318654
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ318605
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ318655
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ318606
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ318656
1H-Benzotriazole
1 spectrum
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04835
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM819701
1H-Benzotriazole, 4(or 5)-methyl-
18 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ279107
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ279157
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ279108
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ279158
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ279101
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ279151
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ279109
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
EQ279159
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ279102
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ279152
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ279103
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ279153
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ279104
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ279154
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ279105
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ279155
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ279106
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ279156
1H-Benzotriazole-5-carboxylic acid
18 spectra
C7H5N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.03818
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ318407
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ318457
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ318408
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ318458
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ318401
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ318451
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ318409
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
EQ318459
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ318402
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ318452
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ318403
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ318453
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ318404
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ318454
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ318405
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ318455
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ318406
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ318456
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mass calculator
user manual
mass calculator
user manual