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Name
Formula / Structure
ExactMass
ID
(+)-Catechin
1 spectrum
C15H14O6
290.07904
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100687
(+)-Epicatechin
1 spectrum
C15H14O6
290.07904
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100688
(+-)-Baclofen
1 spectrum
C10H12ClNO2
213.05566
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100486
(+-)-alpha-Lipoic acid
1 spectrum
C8H14O2S2
206.04352
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100548
(+/-)-cis,trans-abscisic acid
2 spectra
C15H20O4
264.13616
LC-MS/MS; QqQ; CE:10.0 eV; [M-H]-
PR020172
LC-MS/MS; QqQ; CE:5.0 eV; [M-H]-
PR020171
(-)-Citramalic acid
1 spectrum
C5H8O5
148.03717
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100770
(-)-Epicatechin
1 spectrum
C15H14O6
290.07904
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100689
(-)-Riboflavin
1 spectrum
C17H20N4O6
376.13828
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100856
(-)Shikimic acid
1 spectrum
C7H10O5
174.05282
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100485
(2R)-2-Hydroxybut-3-enylglucosinolate
1 spectrum
C11H19NO10S2
389.04504
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M+K-2H]-
PR100884
(2S)-2-Hydroxybut-3-enylglucosinolate
1 spectrum
C11H19NO10S2
389.04504
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M+K-2H]-
PR100885
(9Z, 12Z)-Octadecadienoate
6 spectra
C18H32O2
280.24023
MS/MS; QqQ; CE:10 V; [M-H]-
KO001295
MS/MS; QqQ; CE:20 V; [M-H]-
KO001296
MS/MS; QqQ; CE:30 V; [M-H]-
KO001297
MS/MS; QqQ; CE:40 V; [M-H]-
KO001298
MS/MS; QqQ; CE:50 V; [M-H]-
KO001299
MS/MS; QqTOF; MERGED; [M-H]-
KOX00402
(Aminomethyl)phosphonate
6 spectra
CH6NO3P
111.00853
MS/MS; QqQ; CE:10 V; [M-H]-
KO000305
MS/MS; QqQ; CE:20 V; [M-H]-
KO000306
MS/MS; QqQ; CE:30 V; [M-H]-
KO000307
MS/MS; QqQ; CE:40 V; [M-H]-
KO000308
MS/MS; QqQ; CE:50 V; [M-H]-
KO000309
MS/MS; QqTOF; MERGED; [M-H]-
KOX00108
(Methylthio)acetate
6 spectra
C3H6O2S
106.00885
MS/MS; QqQ; CE:10 V; [M-H]-
KO001497
MS/MS; QqQ; CE:20 V; [M-H]-
KO001498
MS/MS; QqQ; CE:30 V; [M-H]-
KO001499
MS/MS; QqQ; CE:40 V; [M-H]-
KO001500
MS/MS; QqQ; CE:50 V; [M-H]-
KO001501
MS/MS; QqTOF; MERGED; [M-H]-
KOX00460
(R)-(-)-mandelic acid
1 spectrum
C8H8O3
152.04734
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100875
(R)-Mandelate
5 spectra
C8H8O3
152.04734
MS/MS; QqQ; CE:10 V; [M-H]-
KO001437
MS/MS; QqQ; CE:20 V; [M-H]-
KO001438
MS/MS; QqQ; CE:30 V; [M-H]-
KO001439
MS/MS; QqQ; CE:40 V; [M-H]-
KO001440
MS/MS; QqQ; CE:50 V; [M-H]-
KO001441
(S)-(+)-Citramailc acid
1 spectrum
C5H8O5
148.03717
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100732
(S)-2-Aminobutyrate
5 spectra
C4H9NO2
103.06333
MS/MS; QqQ; CE:10 V; [M-H]-
KO000315
MS/MS; QqQ; CE:20 V; [M-H]-
KO000316
MS/MS; QqQ; CE:30 V; [M-H]-
KO000317
MS/MS; QqQ; CE:40 V; [M-H]-
KO000318
MS/MS; QqTOF; MERGED; [M-H]-
KOX00112
(S)-Malate
3 spectra
C4H6O5
134.02152
LC-ESI-FT-MS; NEG
KNA00527
LC-ESI-IT-MS/MS; m/z:1265.98; NEG
KNA00528
LC-ESI-IT-MS/MS; m/z:133.01; NEG
KNA00529
(S)-Mandelate
6 spectra
C8H8O3
152.04734
MS/MS; QqQ; CE:10 V; [M-H]-
KO001417
MS/MS; QqQ; CE:20 V; [M-H]-
KO001418
MS/MS; QqQ; CE:30 V; [M-H]-
KO001419
MS/MS; QqQ; CE:40 V; [M-H]-
KO001420
MS/MS; QqQ; CE:50 V; [M-H]-
KO001421
MS/MS; QqTOF; MERGED; [M-H]-
KOX00436
1,2-Dilauroyl-sn-Glycero-3-Phosphate
1 spectrum
C27H53O8P
536.34781
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100783
1,3-Dihydroxyacetone dimer
1 spectrum
C6H12O6
180.06339
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100844
1,3-Dimethylurate
2 spectra
C7H8N4O3
196.05964
LC-ESI-QTOF-MS/MS; CE:30 V; [M-H]-
PR100869
LC-ESI-QTOF-MS/MS; CE:Ramp 5-60 V; [M-H]-
PR100868
1,5-Diphenylcarbohydrazide
6 spectra
C13H14N4O
242.11676
MS/MS; QqQ; CE:10 V; [M-H]-
KO000689
MS/MS; QqQ; CE:20 V; [M-H]-
KO000690
MS/MS; QqQ; CE:30 V; [M-H]-
KO000691
MS/MS; QqQ; CE:40 V; [M-H]-
KO000692
MS/MS; QqQ; CE:50 V; [M-H]-
KO000693
MS/MS; QqTOF; MERGED; [M-H]-
KOX00220
1,5-anhydroglucitol
1 spectrum
C6H12O5
164.06847
MS/MS; IT; m/z: 163.2; [M-H]-
MT000011
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