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ISAS Dortmund - Spatial Metabolomics
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Data Pipeline
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Targeted MS Runs
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
ISAS_Quant_Metabolomics_Library_negative
Document Summary
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
88 MB
SkyP file (link only, 1KB)
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1 version
5 molecule lists
,
93 small molecules
,
93 precursors
,
93 transitions
-
140 replicates
,
93 calibration curves
- Skyline (64-bit) 22.2.0.351 (28f9b9301)
Molecule Calibration Curves
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1-Methyl Adenosine
3.7904E7
2.3684E5
18
0.0000E0
0.82999
M3
2,5-Furandicarboxylic acid
5.9554E7
3.8880E5
20
0.0000E0
0.94316
M1
2'-Deoxyadenosine
1.9299E7
2.3475E5
24
0.0000E0
-1.52079
M3
2'-Deoxycytidine
8.6623E7
5.3625E5
24
0.0000E0
0.84287
M4
2′-Deoxyguanosine
1.9567E8
1.8286E6
21
0.0000E0
0.87173
M4
2'-Deoxyinosine
2.6905E8
3.6248E6
24
0.0000E0
0.88519
M4
3-Guanidinopropionic
4.1943E7
6.2417E5
24
0.0000E0
0.90992
M2
3-Indoleacetonitrile
5.9255E6
8.4353E3
23
0.0000E0
0.81589
M2
3-Methyladenine
6.9061E4
-1.4958E3
19
0.0000E0
0.91991
M1
5-Aminoimidazole-4-carboxamide
1.7688E8
1.0932E6
24
0.0000E0
0.73373
M5
5-Aminovaleric acid
1.8948E7
3.4593E5
24
0.0000E0
0.96886
M1
5-Methoxytryptamine
1.3007E6
-4.7380E4
22
0.0000E0
0.73465
M2
5-Methylcytidine
1.1434E8
1.8823E6
24
0.0000E0
0.42537
M3
5-Methylcytosine
7.2849E6
1.3136E4
17
0.0000E0
0.47375
M2
5-Methyluridine
4.0823E8
3.0511E6
24
0.0000E0
0.88333
M5
6Phosphogluconic acid
1.6050E7
-4.7063E5
23
0.0000E0
0.94275
M3
Adenosine
3.1750E7
2.8309E5
24
0.0000E0
0.93527
M3
Adenosine cyclophosphate
2.7251E8
1.2024E6
21
0.0000E0
0.98098
M4
Biotin
9.8528E7
-1.1928E4
24
0.0000E0
0.94673
M4
Creatine anhydrous
2.4416E7
5.5545E4
24
0.0000E0
0.91021
M1
Cytidine
4.4078E7
5.7840E4
24
0.0000E0
0.94552
M3
Cytidine-5'-monophosphate
4.1863E7
-3.9641E5
24
0.0000E0
0.62397
M3
Cytidine 5′-triphosphate (disodium salt)
9.5203E6
-2.9119E5
24
0.0000E0
0.93780
M1
Cytosine
1.6792E7
4.6270E5
20
0.0000E0
0.98392
M1
D-Arabitol
1.3733E8
-1.3396E5
24
0.0000E0
0.99420
M1
D-Fructose 1,6-bisphosphate
1.1775E7
9.0087E5
24
0.0000E0
0.89516
M4
D-Glucosamine-6-phosphate (hydrate)
2.3968E7
-3.4690E5
24
0.0000E0
0.99359
M3
D-Glucose-6-phosphate sodium salt
4.1527E7
-4.4591E5
24
0.0000E0
0.95614
M4
D-Glutamine
6.0515E7
-6.1516E5
24
0.0000E0
0.83113
M4
D-Leucine
1.6565E8
1.6611E6
24
0.0000E0
0.97044
M5
DL-Homocysteine
6.8289E6
2.2385E5
24
0.0000E0
0.80217
M1
DL-Kynurenine
4.3177E7
-1.9214E3
24
0.0000E0
0.94871
M2
D-Proline
5.0754E7
4.5907E6
24
0.0000E0
0.99184
M1
D-Sorbitol
2.1101E8
5.7816E6
24
0.0000E0
0.27259
M3
D-(+)-Tryptophan
1.1754E8
3.5774E6
24
0.0000E0
0.94599
M2
Folinic acid calcium salt hydrate
7.6082E7
-1.4693E6
24
0.0000E0
0.99449
M2
Glycine
1.5612E7
2.6175E6
24
0.0000E0
0.89629
M5
Glycochenodeoxycholic acid (sodium salt hydrate)
8.7694E8
3.9543E6
21
0.0000E0
0.88460
M5
Glycoursodeoxycholic acid
8.3478E7
1.6265E6
21
0.0000E0
0.90460
M1
Guanosine 5'-monophosphate (disodium salt)
4.5805E7
-2.5919E5
24
0.0000E0
0.93509
M1
Guanosine 5′-triphosphate sodium salt hydrate
7.9599E6
-2.2096E5
24
0.0000E0
0.96846
M1
Histamine dihydrochloride
1.0479E6
-3.2030E4
19
0.0000E0
0.77766
M2
Imidazole
1.2716E5
3.2119E4
16
0.0000E0
0.92717
M1
Imidazole-4(5)-acetic acid hydrochloride
4.3961E7
6.0712E5
21
0.0000E0
0.98842
M3
Indole-3-carboxylic acid
1.3150E9
3.9089E7
18
0.0000E0
0.80869
M2
Inosine
4.6930E8
1.3063E7
24
0.0000E0
0.49896
M4
L-5-Hydroxytryptophan
1.3469E8
1.4464E4
24
0.0000E0
0.94400
M3
L-Anserine
9.7072E7
4.2434E5
24
0.0000E0
0.87548
M3
L-Arginine
1.7553E7
1.2106E5
24
0.0000E0
0.99841
M5
L-Carnosine
7.4167E7
7.3487E5
24
0.0000E0
0.92173
M3
L-Glutamic Acid
5.8194E7
2.1046E5
21
0.0000E0
0.99704
M5
L-Glutathione oxidized
1.0877E7
-2.3276E5
24
0.0000E0
0.91076
M5
L-Homoarginine hydrochloride
1.9549E7
-2.0108E4
24
0.0000E0
0.98768
M2
L-Lysine
5.1092E6
-2.3353E4
24
0.0000E0
0.93262
M5
L-Methionine
5.3639E7
-1.8469E5
24
0.0000E0
0.82421
M5
L-Norleucine
8.3209E7
7.4846E5
24
0.0000E0
0.96544
M4
L-Norvaline
8.0745E7
1.7384E6
24
0.0000E0
0.98146
M2
L-Phenylalanine
2.2872E8
4.7918E5
24
0.0000E0
0.87205
M5
L(-)-Pipecolinic acid
4.7726E7
3.5726E5
24
0.0000E0
0.98925
M2
L-Proline
4.7777E7
9.5431E5
24
0.0000E0
0.99468
M5
L-Pyroglutamic acid
1.5364E8
1.1272E7
22
0.0000E0
0.96496
M1
L-Serine
4.1616E7
6.4763E6
21
0.0000E0
0.99458
M5
L-Threonine
4.3683E7
1.2131E6
32
0.0000E0
0.62776
M5
L-Tyrosine
2.3932E8
1.6997E6
24
0.0000E0
0.99409
M5
L-Valine
7.5534E7
1.1800E6
24
0.0000E0
0.95150
M5
Maltotriose
1.9376E7
5.4633E5
21
0.0000E0
0.76451
M1
Mannitol
2.7212E8
1.1162E7
24
0.0000E0
0.95983
M2
NADH sodium salt hydrate
2.2532E6
-1.0505E5
18
0.0000E0
0.93912
M5
NADP+ sodium salt hydrate
1.2784E7
-2.5742E5
24
0.0000E0
0.96931
M5
Nicotinic acid
1.4866E8
1.3900E6
24
0.0000E0
0.93979
M1
O-Phospho-L-tyrosine
2.5505E7
-1.8903E5
24
0.0000E0
0.99732
M5
O-Phosphorylethanolamine
5.8770E6
-1.6618E5
24
0.0000E0
0.99220
M4
Palatinitol
1.6242E8
1.8527E5
24
0.0000E0
0.84294
M4
Purine
5.6921E8
8.6924E6
18
0.0000E0
0.64384
M1
Pyridoxine HCl
1.1162E9
1.2357E7
18
0.0000E0
0.94340
M1
Ritalinic Acid
4.3296E7
2.3947E5
24
0.0000E0
0.99145
M2
Sarcosine
6.6789E5
1.0325E6
24
0.0000E0
0.93047
M4
Sebacic acid
1.0264E9
1.3290E7
24
0.0000E0
0.98874
M2
Serotonin HCl
8.2022E5
-2.6877E4
24
0.0000E0
0.76735
M2
sn-glycero-3-phosphocholine
1.3742E5
-3.2891E3
18
0.0000E0
0.82427
M4
Sodium taurochenodeoxycholate
2.6019E9
-3.3168E6
15
0.0000E0
0.68882
M4
Sucrose
1.1197E8
4.8800E6
24
0.0000E0
0.86938
M4
Taurine
6.4663E7
1.0584E6
24
0.0000E0
0.92267
M4
Taurocholic Acid (sodium salt)
9.2516E8
7.2373E6
21
0.0000E0
0.95029
M1
trans-4-L-Hydroxyproline
6.5722E7
-1.4274E5
24
0.0000E0
0.97588
M3
trans-Urocanic Acid
1.3577E8
1.1521E7
21
0.0000E0
0.76621
M3
Trigonelline hydrochloride
1.7543E6
1.7074E5
23
0.0000E0
0.79763
M1
Tryptamine
6.4351E5
-2.2398E4
22
0.0000E0
0.78726
M4
Tyramine
3.9927E5
2.0518E4
22
0.0000E0
0.83952
M4
Uridine 5'-diphosphate disodium salt hydrate
2.3815E7
1.6179E6
24
0.0000E0
0.81159
M4
Uridine 5'-triphosphate (sodium salt)
1.1492E7
-3.6250E5
24
0.0000E0
0.98144
M5
α-D-Lactose monohydrate
3.2560E7
9.0278E5
24
0.0000E0
0.77858
M3
β-nicotinamide adenine dinucleotide hydrate
5.0881E7
-4.5298E5
20
0.0000E0
0.97838
M5