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Name
Formula / Structure
ExactMass
ID
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-(Trifluoromethyl)phenyl)piperazine
14 spectra
C11H13F3N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.10310
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA281908
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA281902
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA281909
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA281903
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA281914
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA281901
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA281910
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA281904
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA281911
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA281905
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA281912
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA281906
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA281913
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA281907
1-(3-Chlorophenyl)piperazine
14 spectra
C10H13ClN2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.07671
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA281808
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA281802
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA281809
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA281803
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA281814
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA281801
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA281810
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA281804
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA281811
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA281805
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA281812
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA281806
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA281813
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA281807
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-[(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
1-Benzylpiperazine
23 spectra
C11H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.13130
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA282008
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA282002
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA282009
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA282003
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA282014
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA282001
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA282010
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA282004
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA282011
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA282005
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA282012
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA282006
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA282013
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA282007
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-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
10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine
14 spectra
C15H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.10040
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA270108
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA270102
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA270109
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA270103
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
EA270114
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA270101
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA270110
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA270104
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA270111
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA270105
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA270112
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA270106
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
EA270113
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA270107
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
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
28 spectra
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04830
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA016608
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA016658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA016602
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA016652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA016609
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA016659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA016603
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA016653
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA016614
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA016664
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA016601
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA016651
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA016610
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA016660
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA016604
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA016654
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA016611
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA016661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA016605
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA016655
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA016612
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA016662
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA016606
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA016656
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA016613
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
EA016663
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA016607
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA016657
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
2',2'-Difluoro-2'-deoxyuridine
20 spectra
C9H10F2N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.05579
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA264908
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA264902
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA264909
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA264959
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA264903
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA264914
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA264901
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA264951
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA264910
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA264904
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA264911
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA264905
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA264955
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA264912
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA264962
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA264906
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA264956
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M-H]-
EA264963
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA264913
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA264907
2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine
14 spectra
C13H16FN3O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.10229
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA286208
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA286202
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA286209
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA286203
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA286214
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA286201
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA286210
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA286204
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA286211
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA286205
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA286212
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA286206
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA286213
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA286207
2,3,4,6-Tetrachlorophenol
6 spectra
C6H2Cl4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
229.88599
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ357551
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ357552
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ357553
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ357554
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ357555
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ357556
2,4-D
14 spectra
C8H6Cl2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.96941
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA026758
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA026752
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA026759
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA026753
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA026764
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA026751
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA026760
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA026754
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA026761
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA026755
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA026762
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA026756
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
EA026763
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA026757
2,5-Dichlorobenzenesulfonic Acid
9 spectra
C6H4Cl2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
225.92580
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-
EQ501057
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
EQ501051
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M-H]-
EQ501058
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M-H]-
EQ501059
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
EQ501052
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-
EQ501053
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
EQ501054
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-
EQ501055
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-
EQ501056
2,6-Di-tert-butylpyridine
9 spectra
C13H21N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
191.16740
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ359007
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ359008
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ359001
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ359009
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ359002
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ359003
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ359004
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ359005
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ359006
2,6-Dichlorobenzamide
14 spectra
C7H5Cl2NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.97479
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA008508
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA008502
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA008509
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA008503
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA008514
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA008501
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA008510
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA008504
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA008511
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA008505
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA008512
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA008506
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA008513
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA008507
2,7-Naphthalenedisulfonic acid
2 spectra
C10H8O6S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.97620
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA065451
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA065461
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