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Targeted MS Runs
5572_Plate4LC1_07302020.sky.zip
Q500_POS
5572 Q500
Molecule List
File
5572_Plate4LC1_07302020.sky.zip
27 MB
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Description
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Molecule
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TMAO
TMAO
76.0762
76.0762
0.2064
Choline
Choline
104.1075
104.1075
0.2045
Creatinine
Creatinine
114.0667
114.0667
0.2085
Betaine
Betaine
118.0868
118.0868
0.2150
Hypoxanthine
Hypoxanthine
137.0463
137.0463
0.3300
Trigonelline
Trigonelline
138.0554
138.0554
0.2176
ProBetaine
ProBetaine
144.1024
144.1024
0.2196
Xanthine
Xanthine
153.0412
153.0412
0.3798
C0
C0
165.1318
165.1318
0.2030
C2
C2
207.1424
207.1424
0.2200
PheAlaBetaine
PheAlaBetaine
208.1337
208.1337
1.1167
C4
C4
235.1737
235.1737
1.1300
Histamine
Histamine
247.1017
247.1017
1.3676
Taurine
Taurine
261.0367
261.0367
1.4957
His
His
291.0915
291.0915
1.3586
Carnosine
Carnosine
362.1286
362.1286
1.4074
TrpBetaine
TrpBetaine
247.1446
247.1446
1.4225
C5
C5
255.2270
255.2270
1.5156
1-Met-His
1-Met-His
305.1072
305.1072
1.4793
3-Met-His
3-Met-His
305.1072
305.1072
1.5011
Anserine
Anserine
376.1443
376.1443
1.4490
HipAcid
HipAcid
180.0660
180.0660
1.5200
t4-OH-Pro
t4-OH-Pro
267.0803
267.0803
1.5318
Asn
Asn
268.0755
268.0755
1.6839
Arg
Arg
310.1337
310.1337
1.5275
PAG
PAG
194.0817
194.0817
1.7335
Gly
Gly
211.0541
211.0541
1.8606
Ser
Ser
241.0646
241.0646
1.8435
Gln
Gln
282.0912
282.0912
1.7542
HArg
HArg
324.1494
324.1494
1.7460
ADMA
ADMA
338.1650
338.1650
1.8085
SDMA
SDMA
338.1650
338.1650
1.8616
c4-OH-Pro
c4-OH-Pro
267.0803
267.0803
1.8803
Met
Met
285.0731
285.0731
3.5494
Cit
Cit
311.1177
311.1177
1.9618
Sarcosine
Sarcosine
225.0697
225.0697
2.0233
b-Ala
b-Ala
225.0697
225.0697
2.1156
C6
C6
263.2050
263.2050
2.1748
Asp
Asp
269.0596
269.0596
2.1046
Glu
Glu
283.0752
283.0752
2.1296
Ac-Orn
Ac-Orn
310.1225
310.1225
2.1877
3-IAA
3-IAA
176.0711
176.0711
2.6057
Ala
Ala
225.0697
225.0697
2.5449
GABA
GABA
239.0854
239.0854
2.3414
BABA
BABA
239.0854
239.0854
2.6298
AABA
AABA
239.0854
239.0854
3.2686
Pro
Pro
251.0854
251.0854
2.5016
5-AVA
5-AVA
253.1010
253.1010
2.8674
Thr
Thr
255.0803
255.0803
2.3676
alpha-AAA
alpha-AAA
297.0909
297.0909
2.5555
DOPA
DOPA
333.0909
333.0909
2.9717
Indole
Indole
118.0656
118.0656
3.3677
3-IPA
3-IPA
190.0868
190.0868
3.3162
Dopamine
Dopamine
289.1010
289.1010
3.3143
C8
C8
291.2363
291.2363
3.4603
Serotonin
Serotonin
312.1170
312.1170
3.4452
Tyr
Tyr
317.0959
317.0959
3.3576
Val
Val
253.1010
253.1010
3.6078
Cortisone
Cortisone
361.2014
361.2014
3.5345
Cortisol
Cortisol
363.2171
363.2171
3.5357
Leu
Leu
267.1167
267.1167
3.8657
Ile
Ile
267.1167
267.1167
3.8689
Trp
Trp
340.1119
340.1119
3.8547
Kynurenine
Kynurenine
344.1068
344.1068
3.8102
Nitro-Tyr
Nitro-Tyr
362.0810
362.0810
3.8007
Orn
Orn
403.1262
403.1262
3.7690
Phe
Phe
301.1010
301.1010
3.9085
Putrescine
Putrescine
359.1364
359.1364
3.9123
Cys
Cys
392.0561
392.0561
4.0371
HCys
HCys
406.0717
406.0717
4.1203
Lys
Lys
417.1418
417.1418
3.8648
PEA
PEA
257.1112
257.1112
4.1842
Spermidine
Spermidine
551.2085
551.2085
4.3431
Spermine
Spermine
743.2806
743.2806
4.4772
Met-SO
Met-SO
301.0680
301.0680
1.9805
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