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ISAS_Quant_Metabolomics_Library_negative
ISAS_Quant_Metabolomics_Library_negative
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M3
1-Methyl Adenosine
C11H15N5O4
1-Methyl Adenosine
281.1124
281.2695
2.3681
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
2,5-Furandicarboxylic acid
C6H4O5
2,5-Furandicarboxylic acid
156.0059
156.0939
9.3738
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
2'-Deoxyadenosine
C10H13N5O3
2'-Deoxyadenosine
251.1018
251.2434
2.3711
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
2'-Deoxycytidine
C9H13N3O4
2'-Deoxycytidine
227.0906
227.2186
2.9511
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
2′-Deoxyguanosine
C10H13N5O4
2′-Deoxyguanosine
267.0968
267.2428
3.1486
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
2'-Deoxyinosine
C10H12N4O4
2'-Deoxyinosine
252.0859
252.2282
2.6582
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
3-Guanidinopropionic
C4H9N3O2
3-Guanidinopropionic
131.0695
131.1338
7.3785
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
3-Indoleacetonitrile
C10H8N2
3-Indoleacetonitrile
156.0687
156.1854
0.6328
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
3-Methyladenine
C6H7N5
3-Methyladenine
149.0701
149.1542
2.5075
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
5-Aminoimidazole-4-carboxamide
C4H6N4O
5-Aminoimidazole-4-carboxamide
126.0542
126.1172
2.6766
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
5-Aminovaleric acid
C5H11NO2
5-Aminovaleric acid
117.0790
117.1471
9.1420
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
5-Methoxytryptamine
C11H14N2O
5-Methoxytryptamine
190.1106
190.2433
3.2547
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
5-Methylcytidine
C10H15N3O5
5-Methylcytidine
257.1012
257.2447
3.0943
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
5-Methylcytosine
C5H7N3O
5-Methylcytosine
125.0589
125.1293
2.6818
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
5-Methyluridine
C10H14N2O6
5-Methyluridine
258.0852
258.2295
2.4083
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
6Phosphogluconic acid
C6H13O10P
6Phosphogluconic acid
276.0246
276.1361
10.6624
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
Adenosine
C10H13N5O4
Adenosine
267.0968
267.2428
2.5304
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Adenosine cyclophosphate
C10H12N5O6P
Adenosine cyclophosphate
329.0525
329.2074
3.5791
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Biotin
C10H16N2O3S
Biotin
244.0882
244.3121
3.2406
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Creatine anhydrous
C4H9N3O2
Creatine anhydrous
131.0695
131.1338
6.2623
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
Cytidine
C9H13N3O5
Cytidine
243.0855
243.2180
3.3504
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
Cytidine-5'-monophosphate
C9H14N3O8P
Cytidine-5'-monophosphate
323.0519
323.1979
10.4621
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Cytidine 5′-triphosphate (disodium salt)
C9H16N3O14P3
Cytidine 5′-triphosphate (disodium salt)
482.9845
483.1577
10.7070
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Cytosine
C4H5N3O
Cytosine
111.0433
111.1026
2.8427
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
D-Arabitol
C5H12O5
D-Arabitol
152.0685
152.1465
3.5478
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
D-Fructose 1,6-bisphosphate
C6H14O12P2
D-Fructose 1,6-bisphosphate
339.9961
340.1166
10.6576
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
D-Glucosamine-6-phosphate (hydrate)
C6H14NO8P
D-Glucosamine-6-phosphate (hydrate)
259.0457
259.1519
10.6752
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
D-Glucose-6-phosphate sodium salt
C6H13O9P
D-Glucose-6-phosphate sodium salt
260.0297
260.1367
10.5326
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
D-Glutamine
C5H10N2O3
D-Glutamine
146.0691
146.1452
7.4771
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
D-Leucine
C6H13NO2
D-Leucine
131.0946
131.1738
3.3431
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
DL-Homocysteine
C4H9NO2S
DL-Homocysteine
135.0354
135.1854
4.2651
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
DL-Kynurenine
C10H12N2O3
DL-Kynurenine
208.0848
208.2154
3.4574
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
D-Proline
C5H9NO2
D-Proline
115.0633
115.1312
4.4595
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
D-Sorbitol
C6H14O6
D-Sorbitol
182.0790
182.1727
4.3085
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
D-(+)-Tryptophan
C11H12N2O2
D-(+)-Tryptophan
204.0899
204.2268
3.5563
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Folinic acid calcium salt hydrate
C20H23N7O7
Folinic acid calcium salt hydrate
473.1659
473.4423
10.4375
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
Glycine
C2H5NO2
Glycine
75.0320
75.0669
7.1848
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
Glycochenodeoxycholic acid (sodium salt hydrate)
C26H43NO5
Glycochenodeoxycholic acid (sodium salt hydrate)
449.3141
449.6272
2.3206
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Glycoursodeoxycholic acid
C26H43NO5
Glycoursodeoxycholic acid
449.3141
449.6272
2.3206
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Guanosine 5'-monophosphate (disodium salt)
C10H14N5O8P
Guanosine 5'-monophosphate (disodium salt)
363.0580
363.2221
10.5361
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Guanosine 5′-triphosphate sodium salt hydrate
C10H16N5O14P3
Guanosine 5′-triphosphate sodium salt hydrate
522.9907
523.1819
10.7045
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Histamine dihydrochloride
C5H9N3
Histamine dihydrochloride
111.0796
111.1458
9.7742
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Imidazole
C3H4N2
Imidazole
68.0374
68.0777
1.4182
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
Imidazole-4(5)-acetic acid hydrochloride
C5H6N2O2
Imidazole-4(5)-acetic acid hydrochloride
126.0429
126.1141
5.4677
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Indole-3-carboxylic acid
C9H7NO2
Indole-3-carboxylic acid
161.0477
161.1587
2.1884
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Inosine
C10H12N4O5
Inosine
268.0808
268.2276
3.0365
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
L-5-Hydroxytryptophan
C11H12N2O3
L-5-Hydroxytryptophan
220.0848
220.2262
5.3905
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
L-Anserine
C10H16N4O3
L-Anserine
240.1222
240.2605
10.4171
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Arginine
C6H14N4O2
L-Arginine
174.1117
174.2019
11.7975
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
L-Carnosine
C9H14N4O3
L-Carnosine
226.1066
226.2338
10.5759
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Glutamic Acid
C5H9NO4
L-Glutamic Acid
147.0532
147.1300
8.7619
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Glutathione oxidized
C20H32N6O12S2
L-Glutathione oxidized
612.1520
612.6341
10.5868
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
L-Homoarginine hydrochloride
C7H16N4O2
L-Homoarginine hydrochloride
188.1273
188.2286
11.7899
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Lysine
C6H14N2O2
L-Lysine
146.1055
146.1885
11.7192
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Methionine
C5H11NO2S
L-Methionine
149.0510
149.2121
3.7652
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
L-Norleucine
C6H13NO2
L-Norleucine
131.0946
131.1738
3.3410
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
L-Norvaline
C5H11NO2
L-Norvaline
117.0790
117.1471
3.9354
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Phenylalanine
C9H11NO2
L-Phenylalanine
165.0790
165.1905
3.1851
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
L(-)-Pipecolinic acid
C6H11NO2
L(-)-Pipecolinic acid
129.0790
129.1579
4.2193
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Proline
C5H9NO2
L-Proline
115.0633
115.1312
4.4502
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
L-Pyroglutamic acid
C5H7NO3
L-Pyroglutamic acid
129.0426
129.1147
3.7994
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Serine
C3H7NO3
L-Serine
105.0426
105.0930
7.7410
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Threonine
C4H9NO3
L-Threonine
119.0582
119.1198
6.0957
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Tyrosine
C9H11NO3
L-Tyrosine
181.0739
181.1899
4.5603
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Valine
C5H11NO2
L-Valine
117.0790
117.1471
4.1337
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Maltotriose
C18H32O16
Maltotriose
504.1690
504.4398
10.3930
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Mannitol
C6H14O6
Mannitol
182.0790
182.1727
4.3353
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
NADH sodium salt hydrate
C21H29N7O14P2
NADH sodium salt hydrate
665.1248
665.4441
9.1682
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
NADP+ sodium salt hydrate
C21H28N7O17P3
NADP+ sodium salt hydrate
743.0755
743.4082
10.6101
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Nicotinic acid
C6H5NO2
Nicotinic acid
123.0320
123.1103
2.9322
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
O-Phospho-L-tyrosine
C9H12NO6P
O-Phospho-L-tyrosine
261.0402
261.1698
10.6753
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
O-Phosphorylethanolamine
C2H8NO4P
O-Phosphorylethanolamine
141.0191
141.0633
10.6456
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Palatinitol
C12H24O11
Palatinitol
344.1319
344.3142
8.4406
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Purine
C5H4N4
Purine
120.0436
120.1128
2.2711
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Pyridoxine HCl
C8H11NO3
Pyridoxine HCl
169.0739
169.1790
2.2871
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Ritalinic Acid
C13H17NO2
Ritalinic Acid
219.1259
219.2815
2.5809
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Sarcosine
C3H7NO2
Sarcosine
89.0477
89.0936
5.3639
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Sebacic acid
C10H18O4
Sebacic acid
202.1205
202.2490
3.6004
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Serotonin HCl
C10H12N2O
Serotonin HCl
176.0950
176.2166
5.8337
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
sn-glycero-3-phosphocholine
C8H20NO6P
sn-glycero-3-phosphocholine
257.1028
257.2225
8.9565
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Sodium taurochenodeoxycholate
C26H45NO6S
Sodium taurochenodeoxycholate
499.2968
499.7075
2.1871
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Sucrose
C12H22O11
Sucrose
342.1162
342.2983
6.7249
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Taurine
C2H7NO3S
Taurine
125.0147
125.1472
5.7397
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Taurocholic Acid (sodium salt)
C26H45NO7S
Taurocholic Acid (sodium salt)
515.2917
515.7069
2.3678
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
trans-4-L-Hydroxyproline
C5H9NO3
trans-4-L-Hydroxyproline
131.0582
131.1306
5.8540
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
trans-Urocanic Acid
C6H6N2O2
trans-Urocanic Acid
138.0429
138.1249
4.4759
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Trigonelline hydrochloride
C7H7NO2
Trigonelline hydrochloride
137.0477
137.1370
3.9643
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Tryptamine
C10H12N2
Tryptamine
160.1000
160.2172
3.3914
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Tyramine
C8H11NO
Tyramine
137.0841
137.1802
4.0298
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Uridine 5'-diphosphate disodium salt hydrate
C9H14N2O12P2
Uridine 5'-diphosphate disodium salt hydrate
404.0022
404.1625
10.5918
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
Uridine 5'-triphosphate (sodium salt)
C9H15N2O15P3
Uridine 5'-triphosphate (sodium salt)
483.9685
484.1424
10.6816
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
α-D-Lactose monohydrate
C12H22O11
α-D-Lactose monohydrate
342.1162
342.2983
7.9855
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
β-nicotinamide adenine dinucleotide hydrate
C21H27N7O14P2
β-nicotinamide adenine dinucleotide hydrate
663.1091
663.4283
10.1203
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
Library Molecule Precursors
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Precursor
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Ion Formula
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Q1 Z
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Label
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Q1 m/z
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CE
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File
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M3
1-Methyl Adenosine
1-Methyl Adenosine
C11H15N5O4[M-H]
1-
light
280.1051
281.1124
281.2695
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
2,5-Furandicarboxylic acid
2,5-Furandicarboxylic acid
C6H4O5[M-H]
1-
light
154.9986
156.0059
156.0939
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
2'-Deoxyadenosine
2'-Deoxyadenosine
C10H13N5O3[M-H]
1-
light
250.0946
251.1018
251.2434
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
2'-Deoxycytidine
2'-Deoxycytidine
C9H13N3O4[M-H]
1-
light
226.0833
227.0906
227.2186
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
2′-Deoxyguanosine
2′-Deoxyguanosine
C10H13N5O4[M-H]
1-
light
266.0895
267.0968
267.2428
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
2'-Deoxyinosine
2'-Deoxyinosine
C10H12N4O4[M-H]
1-
light
251.0786
252.0859
252.2282
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
3-Guanidinopropionic
3-Guanidinopropionic
C4H9N3O2[M-H]
1-
light
130.0622
131.0695
131.1338
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
3-Indoleacetonitrile
3-Indoleacetonitrile
C10H8N2[M-H]
1-
light
155.0615
156.0687
156.1854
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
3-Methyladenine
3-Methyladenine
C6H7N5[M-H]
1-
light
148.0629
149.0701
149.1542
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
5-Aminoimidazole-4-carboxamide
5-Aminoimidazole-4-carboxamide
C4H6N4O[M-H]
1-
light
125.0469
126.0542
126.1172
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
5-Aminovaleric acid
5-Aminovaleric acid
C5H11NO2[M-H]
1-
light
116.0717
117.0790
117.1471
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
5-Methoxytryptamine
5-Methoxytryptamine
C11H14N2O[M-H]
1-
light
189.1033
190.1106
190.2433
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
5-Methylcytidine
5-Methylcytidine
C10H15N3O5[M-H]
1-
light
256.0939
257.1012
257.2447
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
5-Methylcytosine
5-Methylcytosine
C5H7N3O[M-H]
1-
light
124.0516
125.0589
125.1293
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
5-Methyluridine
5-Methyluridine
C10H14N2O6[M-H]
1-
light
257.0779
258.0852
258.2295
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
6Phosphogluconic acid
6Phosphogluconic acid
C6H13O10P[M-H]
1-
light
275.0174
276.0246
276.1361
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
Adenosine
Adenosine
C10H13N5O4[M-H]
1-
light
266.0895
267.0968
267.2428
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Adenosine cyclophosphate
Adenosine cyclophosphate
C10H12N5O6P[M-H]
1-
light
328.0452
329.0525
329.2074
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Biotin
Biotin
C10H16N2O3S[M-H]
1-
light
243.0809
244.0882
244.3121
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Creatine anhydrous
Creatine anhydrous
C4H9N3O2[M-H]
1-
light
130.0622
131.0695
131.1338
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
Cytidine
Cytidine
C9H13N3O5[M-H]
1-
light
242.0782
243.0855
243.2180
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
Cytidine-5'-monophosphate
Cytidine-5'-monophosphate
C9H14N3O8P[M-H]
1-
light
322.0446
323.0519
323.1979
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Cytidine 5′-triphosphate (disodium salt)
Cytidine 5′-triphosphate (disodium salt)
C9H16N3O14P3[M-H]
1-
light
481.9772
482.9845
483.1577
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Cytosine
Cytosine
C4H5N3O[M-H]
1-
light
110.0360
111.0433
111.1026
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
D-Arabitol
D-Arabitol
C5H12O5[M-H]
1-
light
151.0612
152.0685
152.1465
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
D-Fructose 1,6-bisphosphate
D-Fructose 1,6-bisphosphate
C6H14O12P2[M-H]
1-
light
338.9888
339.9961
340.1166
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
D-Glucosamine-6-phosphate (hydrate)
D-Glucosamine-6-phosphate (hydrate)
C6H14NO8P[M-H]
1-
light
258.0384
259.0457
259.1519
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
D-Glucose-6-phosphate sodium salt
D-Glucose-6-phosphate sodium salt
C6H13O9P[M-H]
1-
light
259.0224
260.0297
260.1367
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
D-Glutamine
D-Glutamine
C5H10N2O3[M-H]
1-
light
145.0619
146.0691
146.1452
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
D-Leucine
D-Leucine
C6H13NO2[M-H]
1-
light
130.0874
131.0946
131.1738
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
DL-Homocysteine
DL-Homocysteine
C4H9NO2S[M-H]
1-
light
134.0281
135.0354
135.1854
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
DL-Kynurenine
DL-Kynurenine
C10H12N2O3[M-H]
1-
light
207.0775
208.0848
208.2154
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
D-Proline
D-Proline
C5H9NO2[M-H]
1-
light
114.0561
115.0633
115.1312
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
D-Sorbitol
D-Sorbitol
C6H14O6[M-H]
1-
light
181.0718
182.0790
182.1727
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
D-(+)-Tryptophan
D-(+)-Tryptophan
C11H12N2O2[M-H]
1-
light
203.0826
204.0899
204.2268
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Folinic acid calcium salt hydrate
Folinic acid calcium salt hydrate
C20H23N7O7[M-H]
1-
light
472.1586
473.1659
473.4423
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
Glycine
Glycine
C2H5NO2[M-H]
1-
light
74.0248
75.0320
75.0669
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
Glycochenodeoxycholic acid (sodium salt hydrate)
Glycochenodeoxycholic acid (sodium salt hydrate)
C26H43NO5[M-H]
1-
light
448.3068
449.3141
449.6272
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
C26H43NO5[M-H]
1-
light
448.3068
449.3141
449.6272
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Guanosine 5'-monophosphate (disodium salt)
Guanosine 5'-monophosphate (disodium salt)
C10H14N5O8P[M-H]
1-
light
362.0507
363.0580
363.2221
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Guanosine 5′-triphosphate sodium salt hydrate
Guanosine 5′-triphosphate sodium salt hydrate
C10H16N5O14P3[M-H]
1-
light
521.9834
522.9907
523.1819
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Histamine dihydrochloride
Histamine dihydrochloride
C5H9N3[M-H]
1-
light
110.0724
111.0796
111.1458
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Imidazole
Imidazole
C3H4N2[M-H]
1-
light
67.0302
68.0374
68.0777
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
Imidazole-4(5)-acetic acid hydrochloride
Imidazole-4(5)-acetic acid hydrochloride
C5H6N2O2[M-H]
1-
light
125.0357
126.0429
126.1141
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Indole-3-carboxylic acid
Indole-3-carboxylic acid
C9H7NO2[M-H]
1-
light
160.0404
161.0477
161.1587
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Inosine
Inosine
C10H12N4O5[M-H]
1-
light
267.0735
268.0808
268.2276
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
L-5-Hydroxytryptophan
L-5-Hydroxytryptophan
C11H12N2O3[M-H]
1-
light
219.0775
220.0848
220.2262
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
L-Anserine
L-Anserine
C10H16N4O3[M-H]
1-
light
239.1150
240.1222
240.2605
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Arginine
L-Arginine
C6H14N4O2[M-H]
1-
light
173.1044
174.1117
174.2019
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
L-Carnosine
L-Carnosine
C9H14N4O3[M-H]
1-
light
225.0993
226.1066
226.2338
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Glutamic Acid
L-Glutamic Acid
C5H9NO4[M-H]
1-
light
146.0459
147.0532
147.1300
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Glutathione oxidized
L-Glutathione oxidized
C20H32N6O12S2[M-H]
1-
light
611.1447
612.1520
612.6341
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
L-Homoarginine hydrochloride
L-Homoarginine hydrochloride
C7H16N4O2[M-H]
1-
light
187.1200
188.1273
188.2286
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Lysine
L-Lysine
C6H14N2O2[M-H]
1-
light
145.0983
146.1055
146.1885
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Methionine
L-Methionine
C5H11NO2S[M-H]
1-
light
148.0438
149.0510
149.2121
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
L-Norleucine
L-Norleucine
C6H13NO2[M-H]
1-
light
130.0874
131.0946
131.1738
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
L-Norvaline
L-Norvaline
C5H11NO2[M-H]
1-
light
116.0717
117.0790
117.1471
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Phenylalanine
L-Phenylalanine
C9H11NO2[M-H]
1-
light
164.0717
165.0790
165.1905
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
L(-)-Pipecolinic acid
L(-)-Pipecolinic acid
C6H11NO2[M-H]
1-
light
128.0717
129.0790
129.1579
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Proline
L-Proline
C5H9NO2[M-H]
1-
light
114.0561
115.0633
115.1312
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
L-Pyroglutamic acid
L-Pyroglutamic acid
C5H7NO3[M-H]
1-
light
128.0353
129.0426
129.1147
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Serine
L-Serine
C3H7NO3[M-H]
1-
light
104.0353
105.0426
105.0930
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Threonine
L-Threonine
C4H9NO3[M-H]
1-
light
118.0510
119.0582
119.1198
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Tyrosine
L-Tyrosine
C9H11NO3[M-H]
1-
light
180.0666
181.0739
181.1899
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
L-Valine
L-Valine
C5H11NO2[M-H]
1-
light
116.0717
117.0790
117.1471
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Maltotriose
Maltotriose
C18H32O16[M-H]
1-
light
503.1618
504.1690
504.4398
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Mannitol
Mannitol
C6H14O6[M-H]
1-
light
181.0718
182.0790
182.1727
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
NADH sodium salt hydrate
NADH sodium salt hydrate
C21H29N7O14P2[M-H]
1-
light
664.1175
665.1248
665.4441
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
NADP+ sodium salt hydrate
NADP+ sodium salt hydrate
C21H28N7O17P3[M-H]
1-
light
742.0682
743.0755
743.4082
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Nicotinic acid
Nicotinic acid
C6H5NO2[M-H]
1-
light
122.0248
123.0320
123.1103
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
O-Phospho-L-tyrosine
O-Phospho-L-tyrosine
C9H12NO6P[M-H]
1-
light
260.0329
261.0402
261.1698
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
O-Phosphorylethanolamine
O-Phosphorylethanolamine
C2H8NO4P[M-H]
1-
light
140.0118
141.0191
141.0633
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Palatinitol
Palatinitol
C12H24O11[M-H]
1-
light
343.1246
344.1319
344.3142
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Purine
Purine
C5H4N4[M-H]
1-
light
119.0363
120.0436
120.1128
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Pyridoxine HCl
Pyridoxine HCl
C8H11NO3[M-H]
1-
light
168.0666
169.0739
169.1790
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Ritalinic Acid
Ritalinic Acid
C13H17NO2[M-H]
1-
light
218.1187
219.1259
219.2815
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Sarcosine
Sarcosine
C3H7NO2[M-H]
1-
light
88.0404
89.0477
89.0936
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Sebacic acid
Sebacic acid
C10H18O4[M-H]
1-
light
201.1132
202.1205
202.2490
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M2
Serotonin HCl
Serotonin HCl
C10H12N2O[M-H]
1-
light
175.0877
176.0950
176.2166
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
sn-glycero-3-phosphocholine
sn-glycero-3-phosphocholine
C8H20NO6P[M-H]
1-
light
256.0955
257.1028
257.2225
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Sodium taurochenodeoxycholate
Sodium taurochenodeoxycholate
C26H45NO6S[M-H]
1-
light
498.2895
499.2968
499.7075
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Sucrose
Sucrose
C12H22O11[M-H]
1-
light
341.1089
342.1162
342.2983
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Taurine
Taurine
C2H7NO3S[M-H]
1-
light
124.0074
125.0147
125.1472
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Taurocholic Acid (sodium salt)
Taurocholic Acid (sodium salt)
C26H45NO7S[M-H]
1-
light
514.2844
515.2917
515.7069
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
trans-4-L-Hydroxyproline
trans-4-L-Hydroxyproline
C5H9NO3[M-H]
1-
light
130.0510
131.0582
131.1306
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
trans-Urocanic Acid
trans-Urocanic Acid
C6H6N2O2[M-H]
1-
light
137.0357
138.0429
138.1249
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M1
Trigonelline hydrochloride
Trigonelline hydrochloride
C7H7NO2[M-H]
1-
light
136.0404
137.0477
137.1370
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Tryptamine
Tryptamine
C10H12N2[M-H]
1-
light
159.0928
160.1000
160.2172
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Tyramine
Tyramine
C8H11NO[M-H]
1-
light
136.0768
137.0841
137.1802
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M4
Uridine 5'-diphosphate disodium salt hydrate
Uridine 5'-diphosphate disodium salt hydrate
C9H14N2O12P2[M-H]
1-
light
402.9949
404.0022
404.1625
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
Uridine 5'-triphosphate (sodium salt)
Uridine 5'-triphosphate (sodium salt)
C9H15N2O15P3[M-H]
1-
light
482.9613
483.9685
484.1424
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M3
α-D-Lactose monohydrate
α-D-Lactose monohydrate
C12H22O11[M-H]
1-
light
341.1089
342.1162
342.2983
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip
M5
β-nicotinamide adenine dinucleotide hydrate
β-nicotinamide adenine dinucleotide hydrate
C21H27N7O14P2[M-H]
1-
light
662.1018
663.1091
663.4283
0.0000
new Std library Transition list Neg updated samples_2023-04-06_12-41-28.sky.zip