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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 Pos updated samples_2023-04-06_12-42-43.sky.zip
ISAS_Quant_Metabolomics_Library_positive
Document Summary
new Std library Transition list Pos updated samples_2023-04-06_12-42-43.sky.zip
67 MB
SkyP file (link only, 1KB)
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1 version
5 molecule lists
,
95 small molecules
,
95 precursors
,
95 transitions
-
140 replicates
,
95 calibration curves
- Skyline (64-bit) 22.2.0.351 (28f9b9301)
Molecule Calibration Curves
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1-Methyl Adenosine
1.5997E9
1.6645E8
21
0.0000E0
-0.53111
Mix3
2,5-Furandicarboxylic acid
2.6539E2
-8.5286E0
15
0.0000E0
0.06723
Mix1
2'-Deoxyadenosine
9.0504E8
1.4920E8
24
0.0000E0
-1.77296
Mix3
2'-Deoxycytidine
6.6749E7
6.0425E6
24
0.0000E0
-1.46987
Mix4
2′-Deoxyguanosine
1.0822E8
1.8732E6
21
0.0000E0
0.51686
Mix4
2'-Deoxyinosine
1.6744E7
2.2430E5
24
0.0000E0
0.60583
Mix4
3-Guanidinopropionic
3.7721E8
3.2680E7
24
0.0000E0
-4.38087
Mix2
3-Indoleacetonitrile
1.2464E5
3.6755E4
24
0.0000E0
-2.14672
Mix2
3-Methyladenine
5.6154E8
3.8956E7
24
0.0000E0
-2.58795
Mix1
5-Aminoimidazole-4-carboxamide
7.8581E7
1.7027E6
23
0.0000E0
0.63848
Mix5
5-Aminovaleric acid
2.0733E8
6.9795E6
24
0.0000E0
0.66028
Mix1
5-Methoxytryptamine
6.0294E8
3.8436E7
24
0.0000E0
-0.37976
Mix2
5-Methylcytidine
2.4555E8
6.5899E6
21
0.0000E0
-0.54687
Mix3
5-Methylcytosine
1.3903E8
1.0175E7
24
0.0000E0
-0.59492
Mix2
5-Methyluridine
4.2205E5
1.8022E3
18
0.0000E0
0.58829
Mix5
6Phosphogluconic acid
1.2000E6
-2.8652E5
21
0.0000E0
0.96077
Mix3
Adenosine
5.1881E8
4.4787E7
24
0.0000E0
-1.58716
Mix3
Adenosine cyclophosphate
1.2405E8
6.1796E5
21
0.0000E0
0.89029
Mix4
Biotin
9.9229E7
3.2502E4
24
0.0000E0
0.85881
Mix4
Creatine anhydrous
2.3754E8
1.3690E7
24
0.0000E0
-1.64348
Mix1
Cytidine
8.7793E7
4.6297E5
24
0.0000E0
0.51220
Mix3
Cytidine-5'-monophosphate
3.3562E7
-2.3674E5
22
0.0000E0
0.99347
Mix3
Cytidine 5′-triphosphate (disodium salt)
1.1095E7
-2.6216E5
24
0.0000E0
0.70589
Mix1
Cytosine
1.3450E8
8.6457E6
24
0.0000E0
-0.68975
Mix1
D-Arabitol
1.8205E4
-5.9904E2
24
0.0000E0
0.85362
Mix1
D-Fructose 1,6-bisphosphate
3.3388E4
-1.7531E2
24
0.0000E0
0.65930
Mix4
D-Glucosamine-6-phosphate (hydrate)
1.1821E7
-2.2475E5
24
0.0000E0
0.98611
Mix3
D-Glucose-6-phosphate sodium salt
1.6870E6
-2.1226E5
21
0.0000E0
0.80068
Mix4
D-Glutamine
8.9106E7
-3.7107E5
24
0.0000E0
0.84000
Mix4
D-Leucine
2.5267E8
3.3992E6
24
0.0000E0
0.97257
Mix5
DL-Homocysteine
5.2715E6
4.0649E5
24
0.0000E0
0.87433
Mix1
DL-Kynurenine
9.4958E7
2.1936E5
24
0.0000E0
0.43799
Mix2
D-Proline
1.8968E8
5.8584E6
24
0.0000E0
0.87163
Mix1
D-Sorbitol
3.2010E3
8.6912E3
23
0.0000E0
0.13851
Mix3
D-(+)-Tryptophan
1.6253E8
-3.9989E4
24
0.0000E0
0.99424
Mix2
Folinic acid calcium salt hydrate
4.6167E7
-5.8599E5
24
0.0000E0
0.99187
Mix2
Glycine
6.1721E6
5.1946E5
24
0.0000E0
0.87994
Mix5
Glycochenodeoxycholic acid (sodium salt hydrate)
2.6432E8
3.6409E6
18
0.0000E0
-0.13263
Mix5
Glycoursodeoxycholic acid
2.3002E6
5.3211E5
24
0.0000E0
-9.05350
Mix1
Guanosine 5'-monophosphate (disodium salt)
3.1996E7
-1.1280E5
24
0.0000E0
0.97536
Mix1
Guanosine 5′-triphosphate sodium salt hydrate
8.8135E6
-2.1698E5
24
0.0000E0
0.69790
Mix1
Histamine dihydrochloride
2.6667E8
6.7864E6
24
0.0000E0
-0.08893
Mix2
Imidazole
1.4265E9
3.1733E7
24
0.0000E0
-4.04741
Mix1
Indole
1.2055E3
5.2304E3
2
0.0000E0
1.00000
Mix3
Indole-3-carboxylic acid
3.9643E5
3.6904E4
22
0.0000E0
-4.71371
Mix2
Inosine
1.5606E8
4.6459E6
24
0.0000E0
-0.22303
Mix3
L-5-Hydroxytryptophan
1.2288E8
-8.7416E4
24
0.0000E0
0.86459
Mix3
L-Anserine
2.3798E8
-4.8635E6
24
0.0000E0
0.99269
Mix3
L-Arginine
1.7237E8
5.5909E6
18
0.0000E0
0.63584
Mix5
L-Carnosine
6.6618E3
-5.8249E4
8
0.0000E0
0.63750
Mix3
L-Glutamic Acid
4.7834E7
-5.0684E4
21
0.0000E0
0.99397
Mix5
L-Glutathione oxidized
1.2618E7
-2.2437E5
24
0.0000E0
0.95979
Mix5
L-Homoarginine hydrochloride
1.7366E8
3.6008E6
24
0.0000E0
-0.38834
Mix2
L-Lysine
1.3128E7
-1.0996E5
24
0.0000E0
0.98629
Mix5
L-Methionine
9.7869E7
-7.7971E5
24
0.0000E0
0.98427
Mix5
L-Norleucine
1.0707E8
3.3551E6
24
0.0000E0
0.89178
Mix4
L-Norvaline
1.0043E8
1.1854E7
24
0.0000E0
0.98010
Mix2
L-Phenylalanine
2.9233E8
2.6986E5
24
0.0000E0
0.89777
Mix5
L(-)-Pipecolinic acid
2.1206E8
9.8879E5
24
0.0000E0
0.89025
Mix2
L-Proline
1.8605E8
3.1654E6
23
0.0000E0
0.95531
Mix5
L-Pyroglutamic acid
1.2647E5
-3.2657E4
20
0.0000E0
0.94159
Mix1
L-Serine
1.6821E7
2.2583E6
24
0.0000E0
0.80093
Mix5
L-Threonine
4.0070E7
4.8230E5
24
0.0000E0
0.82442
Mix5
L-Tyrosine
1.7226E8
1.7564E6
24
0.0000E0
0.76912
Mix5
L-Valine
9.0708E7
4.8035E5
24
0.0000E0
0.99377
Mix5
Maltotriose
8.0720E5
-5.4913E4
21
0.0000E0
0.90477
Mix1
Mannitol
1.1006E6
1.2139E4
32
0.0000E0
0.16415
Mix2
Methylguanidine HCl
2.4168E8
3.3171E6
21
0.0000E0
0.31543
Mix4
NADH sodium salt hydrate
1.7063E6
-3.5495E4
19
0.0000E0
0.90644
Mix5
NADP+ sodium salt hydrate
1.0477E7
-1.5025E5
24
0.0000E0
0.77226
Mix5
Nicotinic acid
1.6638E7
5.6680E5
24
0.0000E0
0.18608
Mix1
O-Phospho-L-tyrosine
1.4426E7
-6.5445E4
24
0.0000E0
0.57401
Mix5
O-Phosphorylethanolamine
5.2648E6
-1.1534E5
24
0.0000E0
0.92791
Mix4
Palatinitol
1.9635E6
-4.6695E4
24
0.0000E0
0.83162
Mix4
Progesterone
6.3814E5
-8.9623E3
24
0.0000E0
0.86214
Mix3
Purine
1.8287E8
1.2999E7
24
0.0000E0
-53.28465
Mix1
Pyridoxine HCl
2.2632E9
1.9369E8
24
0.0000E0
-1.28685
Mix1
Ritalinic Acid
4.8979E8
1.0012E7
24
0.0000E0
0.59441
Mix2
Sarcosine
1.3067E6
2.5232E5
24
0.0000E0
0.92351
Mix4
Sebacic acid
6.8568E4
-2.0733E3
19
0.0000E0
0.95401
Mix2
Serotonin HCl
2.4042E8
1.7042E6
24
0.0000E0
0.54342
Mix2
sn-glycero-3-phosphocholine
4.7844E8
-7.6987E6
24
0.0000E0
0.96060
Mix4
Sodium taurochenodeoxycholate
2.9570E7
4.0949E6
24
0.0000E0
-177.30781
Mix4
Sucrose
1.0086E5
-2.8663E3
24
0.0000E0
0.91638
Mix4
Taurine
3.3866E7
6.0460E4
21
0.0000E0
0.94438
Mix4
Taurocholic Acid (sodium salt)
2.4340E7
1.0460E6
24
0.0000E0
-7.65443
Mix1
trans-4-L-Hydroxyproline
9.3997E7
9.9169E4
24
0.0000E0
0.82164
Mix3
trans-Urocanic Acid
2.2725E8
3.9904E7
21
0.0000E0
-0.77779
Mix3
Trigonelline hydrochloride
2.9626E8
1.4141E7
24
0.0000E0
-0.34663
Mix1
Tryptamine
3.1395E8
1.6835E7
24
0.0000E0
-0.01948
Mix4
Tyramine
1.5927E8
1.0876E7
28
0.0000E0
0.69836
Mix4
Uridine 5'-diphosphate disodium salt hydrate
3.4992E6
-6.8442E5
21
0.0000E0
0.95936
Mix4
Uridine 5'-triphosphate (sodium salt)
3.5821E6
-1.0934E5
24
0.0000E0
0.78684
Mix5
α-D-Lactose monohydrate
1.2668E7
-2.5086E5
24
0.0000E0
0.71081
Mix3
β-nicotinamide adenine dinucleotide hydrate
5.6752E7
-3.5513E5
21
0.0000E0
0.99722
Mix5