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Name
Formula / Structure
ExactMass
ID
sunitinib_BTP_M6
1 spectrum
C28H35FN4O8
574.24390
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000111
sunitinib_BTP_M7
1 spectrum
C28H35FN4O9
590.23877
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000112
sunitinib_BTP_M8
1 spectrum
C22H28N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
396.21609
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000106
sunitinib_BTP_M9
1 spectrum
C22H29FN4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
400.22751
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000102
Surfactin B
9 spectra
C52H91N7O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1021.66748
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000733
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000734
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000741
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000735
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000740
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000736
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+Na]+
MSBNK-AAFC-AC000739
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000737
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+Na]+
MSBNK-AAFC-AC000738
Surfactin C
9 spectra
C53H93N7O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1035.68311
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000724
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000725
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000732
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000726
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000731
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000727
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+Na]+
MSBNK-AAFC-AC000730
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000728
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+Na]+
MSBNK-AAFC-AC000729
Surinabant
9 spectra
C23H23BrCl2N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
520.04321
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002248
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002247
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002246
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU026801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU026802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU026803
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU026804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU026805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU026806
Suxibuzone
6 spectra
C24H26N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
438.17911
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU113501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU113502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU113503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU113504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU113505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU113506
Swertiamarin
14 spectra
C16H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
374.12131
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000077
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303743
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303746
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303749
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303752
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303755
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303758
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303761
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303764
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303767
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303770
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303773
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303776
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310455
Symmetric dimethylarginine
8 spectra
C8H18N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.14296
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00447
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 15 V
MSBNK-MSSJ-MSJ00448
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00449
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00450
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00451
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00452
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00453
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00446
SYN-15-TERT-BUTYL-18-METHOXY-2,11-DITHIA-5,6,7,9-T...
1 spectrum
C21H22F4OS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
430.10483
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011508
SYN-15-TERT-BUTYL-18-METHOXY-5,6,7,9-TETRAFLUORO-2...
1 spectrum
C21H22F4O5S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
494.08447
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011509
Synephrine
5 spectra
C9H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.09464
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004052
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004053
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004054
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004055
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004056
Syringaldehyde
5 spectra
C9H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.05791
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB000619
LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
MSBNK-IPB_Halle-PB000620
LC-ESI-QTOF; MS2; CE:35 eV; [M+H]+
MSBNK-IPB_Halle-PB000621
LC-ESI-QTOF; MS2; CE:45 eV; [M+H]+
MSBNK-IPB_Halle-PB000622
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101041
Syringetin-3-O-galactoside
2 spectra
C23H24O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
508.12170
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020083
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100366
syringetin-3-O-galactoside, Syrg-3-Gal
5 spectra
C23H24O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
508.43201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087003
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087004
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087005
Syringetin-3-O-glucoside
15 spectra
C23H24O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
508.12170
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020084
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302153
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302158
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302163
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302168
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302173
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302178
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302183
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302188
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302193
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302198
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302203
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302208
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310912
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100367
syringetin-3-O-glucoside, Syrg-3-Glc
5 spectra
C23H24O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
508.43201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087104
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087105
syringetin-3-O-glucoside, Syrg-3-Glc, 5,7-dihydrox...
1 spectrum
C23H24O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
508.43201
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT108710
Syringic acid
8 spectra
C9H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.05280
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311108867
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311108864
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311108869
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108863
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108870
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311108866
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311108865
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311108868
Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether...
7 spectra
C9H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.17500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS108701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS108702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS108703
Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether...
1 spectrum
C9H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.17500
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT110870
Syrosingopine
12 spectra
C35H42N2O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
666.72400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301543
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301547
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301551
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301558
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301562
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301566
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301570
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301574
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301578
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301582
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301586
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310653
T-2 tetraol
5 spectra
C15H22O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.14163
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000627
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000628
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000629
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000630
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000631
T-2 Toxin
10 spectra
C24H34O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
466.22028
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000233
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
MSBNK-AAFC-AC000238
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000234
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000239
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000235
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000240
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000236
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
MSBNK-AAFC-AC000241
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000237
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
MSBNK-AAFC-AC000242
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