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5,633 Hit.
( 4,969 - 5,080 Displayed )
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Name
Formula / Structure
ExactMass
ID
Sitagliptin
14 spectra
C16H15F6N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
407.11807
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225702
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU225731
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225703
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU225732
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225704
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU225733
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225705
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU225734
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225707
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225708
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225709
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225710
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU225711
Sotalol
9 spectra
C12H20N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.11948
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238301
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238357
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238302
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238358
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238303
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238359
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238304
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238305
LC-ESI-QTOF; MS2; CE: Ramp 20.6-30.9 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238306
Spinosyn A
5 spectra
C41H65NO10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
731.46088
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU263501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU263502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU263503
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU263505
LC-ESI-QTOF; MS2; CE: Ramp 30.4-45.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU263506
Spiroxamine
6 spectra
C18H35NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.26678
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU257101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU257102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU257103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU257104
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU257105
LC-ESI-QTOF; MS2; CE: Ramp 21.5-32.3 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU257106
Styrene
3 spectra
C8H8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.06260
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501102
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501103
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501104
Sudan I
1 spectrum
C16H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
248.09496
LC-ESI-QTOF; MS2; CE: RAMP 19.8-29.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU565106
Sudan III
6 spectra
C22H16N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.13242
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU565301
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU565302
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU565303
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU565304
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU565333
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU565305
Sudan IV
3 spectra
C24H20N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
380.16370
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU565407
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU565408
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU565409
Sulcotrione
10 spectra
C14H13ClO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.01721
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238601
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238657
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238658
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238603
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238659
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238604
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238660
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238605
LC-ESI-QTOF; MS2; CE: Ramp 22.2-33.3 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU238606
LC-ESI-QTOF; MS2; CE: Ramp 25.1-37.6 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU238662
Sulfachlorpyridazine
1 spectrum
C10H9ClN4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.01349
LC-ESI-QTOF; MS2; CE: Ramp 21.1-31.6 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100701
Sulfaclozine
1 spectrum
C10H9ClN4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.01349
LC-ESI-QTOF; MS2; CE: 21.1-31.6 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100601
Sulfadiazine
4 spectra
C10H10N4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.05244
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101104
Sulfadimethoxine
8 spectra
C12H14N4O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.07358
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU236357
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100902
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU236358
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100903
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU236359
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100904
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU236360
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100905
Sulfadimidine
1 spectrum
C12H14N4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.08371
LC-ESI-QTOF; MS2; CE: Ramp 20.8-31.3 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100801
Sulfadoxine
1 spectrum
C12H14N4O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.07361
LC-ESI-QTOF; MS2; CE: Ramp 21.8-32.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101001
Sulfaguanidine
1 spectrum
C7H10N4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.05240
LC-ESI-QTOF; MS2; CE: Ramp 18.5-27.8 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101201
Sulfamerazine
1 spectrum
C11H12N4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.06812
LC-ESI-QTOF; MS2; CE: Ramp 20.3-30.5 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101601
Sulfameter
1 spectrum
C11H12N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.06299
LC-ESI-QTOF; MS2; CE: 20.9-31.4 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU102501
Sulfamethazine
5 spectra
C12H14N4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.08374
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100805
LC-ESI-QTOF; MS2; CE: Ramp 20.8-31.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU100806
Sulfamethizole
1 spectrum
C9H10N4O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.02451
LC-ESI-QTOF; MS2; CE: Ramp 20.6-30.8 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101702
Sulfamethoxazole
13 spectra
C10H11N3O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.05211
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101806
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU101851
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU234357
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101802
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU101852
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU234358
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101803
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU101853
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU234359
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101804
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU234360
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101805
LC-ESI-QTOF; MS2; CE: Ramp 19.9-29.9 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101801
Sulfamethoxypyridazine
5 spectra
C11H12N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.06302
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101505
Sulfamoxole
1 spectrum
C11H13N3O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.06781
LC-ESI-QTOF; MS2; CE: Ramp 20.5-30.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU101902
Sulfanilamide
1 spectrum
C6H8N2O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.03059
LC-ESI-QTOF; MS2; CE: Ramp 17.0-25.5 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU102202
Sulfapyridine
10 spectra
C11H11N3O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
249.05721
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU234401
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU234457
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU234402
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU234458
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU234403
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU234459
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU234404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU234405
LC-ESI-QTOF; MS2; CE: Ramp 19.8-29.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU102001
LC-ESI-QTOF; MS2; CE: Ramp 19.8-29.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU234406
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