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5,471 Hit.
( 2,267 - 2,400 Displayed )
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Name
Formula / Structure
ExactMass
ID
SM d39:1
4 spectra
C44H89N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
772.64581
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00361
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00362
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00747
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00748
SM d40:0
4 spectra
C45H93N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
788.67712
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00349
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00350
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00735
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00736
SM d40:1
4 spectra
C45H91N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
786.66144
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00363
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00364
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00749
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00750
SM d40:2
4 spectra
C45H89N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
784.64581
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00381
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00382
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00767
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00768
SM d41:1
6 spectra
C46H93N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
800.67712
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00365
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00366
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00367
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00751
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00752
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00753
SM d41:2
4 spectra
C46H91N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
798.66144
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00368
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00383
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00754
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00769
SM d42:1
8 spectra
C47H95N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
814.69275
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00351
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00352
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00369
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00370
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00737
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00738
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00755
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00756
SM d42:2
6 spectra
C47H93N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
812.67712
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00371
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00372
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00373
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00757
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00758
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00759
SM d42:3
8 spectra
C47H91N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
810.66144
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00374
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00375
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00384
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00385
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00760
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00761
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00770
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00771
SM d43:2
2 spectra
C48H95N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
826.69275
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00376
LC-ESI-QTOF; MS2
MSBNK-RIKEN_IMS-LQB00762
Smiglaside C (Not validated)
1 spectrum
C38H44O20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
820.75000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309334
Smiglaside C (not validated)
1 spectrum
C38H44O20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
820.75000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311031
Smiglaside C (Not validated) + 1Acetyl
1 spectrum
C40H46O21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
862.78699
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309335
Smilagenin ((3beta,5beta,25R)-form)
4 spectra
C27H44O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.64990
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02758
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02759
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02760
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02757
SMX/SMZ_n_200.9972_14.1
1 spectrum
C6H6N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.00481
LC-ESI-QFT; MS2; CE: 80%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET408001
SMX_n_225.9926_16.4
1 spectrum
C7H5N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
227.00011
LC-ESI-QFT; MS2; CE: 65%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET408101
SMX_n_282.0188_18.0
1 spectrum
C10H9N3O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.02631
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET408201
SMZ-AcOH
18 spectra
C12H13N3O5S
311.05759
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310407
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310457
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310401
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310451
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310408
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310458
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310409
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310459
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310402
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310452
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310403
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310453
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310404
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310454
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310405
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310455
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310406
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310456
SMZ-Pt
18 spectra
C17H16N8O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.10150
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310207
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310257
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310201
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310251
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310208
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310258
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310209
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310259
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310202
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310252
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310203
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310253
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310204
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310254
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310205
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310255
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310206
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310256
SMZ-PtO
18 spectra
C17H15N7O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
429.08551
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310307
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310357
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310301
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310351
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310308
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310358
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310309
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310359
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310302
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310352
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310303
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310353
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310304
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310354
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310305
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310355
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET310306
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET310356
sn-Glycero-3-phosphocholine
9 spectra
[C8H21NO6P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.11066
LC-ESI-IT; MS2; m/z: 258.1; [M]+
MSBNK-Metabolon-MT000125
LC-ESI-IT; MS2; m/z: 258; [M+H]+
MSBNK-Keio_Univ-KO009112
LC-ESI-IT; MS3; m/z: 258/104; [M+H]+
MSBNK-Keio_Univ-KO009113
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003019
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003020
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003021
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003022
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003023
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100313
sn-Glycerol 3-phosphate
2 spectra
C3H9O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.01367
LC-ESI-ITFT; MS2; m/z:171.01; NEG
MSBNK-NAIST-KNA00540
LC-ESI-ITFT; MS2; m/z:171.01; NEG
MSBNK-NAIST-KNA00789
Sodium 4-hydroxy-benzoate, p-Hydroxybenzoic acid s...
2 spectra
C7H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.12199
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT103210
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT203210
Sodium pyruvate, Pyruvic acid sodium salt, Acetylf...
2 spectra
C3H4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
88.06200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS007801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS007802
Solanidine
5 spectra
C27H43NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
397.64990
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01262
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01263
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01264
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01261
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000383
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