Changing Metabolites for Tomato Introgression Lines (Negative Mode)
Chromosome 1
Changing Bin
99
107
108
113
117
143
149
150
152
159
161
163
179
180
181
182
185
205
221
222
259
260
279
321
323
Possible ID
Formula
Accurate Mass
3-cyanoalanine
succinic acid
4-guanidino-butanamide
arabinose
guanine
3-hydroxyanthranilate
2-oxoadipate
anabasine
coumaric acid
glucose and isomers
tyrosine
dimethoxybenzoic acid
normetanephrine
2-phosphoglyceric acid
homoisocitrate
cystathionine
4-methyl-5-(2-phosphoethyl)thiazole
1L-myo-inositol-1-phosphate
C4H6N2O2
C4H6O4
C5H12N4O
C5H10O5
C5H5N5O
C7H7NO3
C6H8O5
C10H14N2
C9H8O3
C6H12O6
C9H11NO3
C9H10O4
C9H13NO3
C3H7O7P
C7H10O7
C7H14N2O4S
114.0429
118.0266
144.1011
150.0528
151.0494
153.0426
160.0372
162.1157
164.0473
180.0634
181.0739
182.0579
183.0895
185.9929
206.0427
222.0674
C6H10NO4PS
C6H13O9P
223.0068
260.0297
linoleic acid
dTMP
5-enolpyruvyl-shikimate-3phosphate
C18H32O2
C10H15N2O8P
280.2402
322.0566
C10H13O10P
324.0246
Chromosome 2
Changing Bin
75
83
109
113
117
149
159
162
163
165
181
185
195
196
207
243
258
260
275
278
279
304
323
341
342
Possible ID
glycolic acid
Formula
C2H4O3
Accurate Mass
76.01604
3-cyanoalanine
succinic acid
arabinose
2-oxoadipate
C4H6N2O2
C4H6O4
C5H10O5
C6H8O5
114.0429
118.0266
150.0528
160.0372
coumaric acid
ribonic acid
dimethoxybenzoic acid
2-phosphoglyceric acid
galactonate
3-4-dihydroxy-L-phenylalanine
sinapaldehyde
uridine
glucosamine-1-phosphate
C9H8O3
C5H10O6
C9H10O4
C3H7O7P
C6H12O7
C9H11NO4
C11H12O4
C9H12N2O6
C6H14NO8P
164.0473
166.0477
182.0579
185.9929
196.0583
197.0688
208.0736
244.0695
259.0457
6-phosphogluconate
C6H13O10P
276.0246
linoleic acid
2',3'-cyclic CMP
5-enolpyruvyl-shikimate-3phosphate
sucrose and isomers
C18H32O2
C9H12N3O7P
280.2402
305.0413
C10H13O10P
C12H22O11
324.0246
342.1162
Chromosome 3
Changing Bin
98
99
108
117
119
125
137
143
149
153
161
168
169
181
185
200
204
207
218
219
221
223
273
334
367
Possible ID
Formula
Accurate Mass
succinic acid
erythrose and isomers
thymine
salicylic acid
4-guanidino-butanamide
arabinose
dihydroxybenzoic acid
anabasine
1-amino-propan-2-one-3-phosphate
DHAP
dimethoxybenzoic acid
2-phosphoglyceric acid
C4H6O4
C4H8O4
C5H6N2O2
C7H6O3
C5H12N4O
C5H10O5
C7H6O4
C10H14N2
C3H8NO5P
C3H7O6P
C9H10O4
C3H7O7P
118.0266
120.0423
126.0429
138.0317
144.1011
150.0528
154.0266
162.1157
169.014
169.998
182.0579
185.9929
lipoamide
sinapaldehyde
4-amino-2-methyl-5phosphomethylpyrimidine
3-(imidazol-4-yl)-2-oxopropyl
phosphate
cystathionine
sinapate
phloretin
dihydroneopterin phosphate
orotidine-5'-phosphate
C8H15NOS2
C11H12O4
205.0595
208.0736
C6H10N3O4P
219.0409
C6H9N2O5P
C7H14N2O4S
C11H12O5
C15H14O5
C9H14N5O7P
C10H13N2O11P
220.0249
222.0674
224.0685
274.0841
335.0631
368.0257
Chromosome 4
Changing Bins
89
91
107
117
119
149
161
162
163
165
179
180
181
185
196
221
259
260
279
299
300
305
309
323
393
Possible ID
oxalic acid
glycerol
Formula
C2H2O4
C3H8O3
succinic acid
erythrose and isomers
arabinose
anabasine
C4H6O4
C4H8O4
C5H10O5
C10H14N2
118.0266
120.0423
150.0528
162.1157
coumaric acid
ribonic acid
glucose and isomers
tyrosine
dimethoxybenzoic acid
2-phosphoglyceric acid
3-4-dihydroxy-Lphenylalanine
cystathionine
1L-myo-inositol-1-phosphate
C9H8O3
C5H10O6
C6H12O6
C9H11NO3
C9H10O4
C3H7O7P
164.0473
166.0477
180.0634
181.0739
182.0579
185.9929
C9H11NO4
C7H14N2O4S
C6H13O9P
197.0688
222.0674
260.0297
linoleic acid
C18H32O2
280.2402
C8H16NO9P
C9H11N2O8P
C5H12O11P2
301.0563
306.0253
309.9855
C10H13O10P
324.0246
C28H42O
394.3236
N-acetyl-D-glucosamine-1phosphate
2',3'-cyclic UMP
ribulose-1,5-bisphosphate
5-enolpyruvyl-shikimate-3phosphate
ergosta-5,7,22,24(28)tetraen-3-b-ol
Accurate Mass
89.99531
92.04734
Chromosome 5
Changing Bin
75
98
117
125
135
136
143
149
150
153
159
165
195
225
239
251
265
267
285
286
297
309
323
393
394
Possible ID
glycolic acid
Formula
C2H4O3
Accurate Mass
76.01604
succinic acid
thymine
hypoxanthine
4-aminobenzoate
4-guanidino-butanamide
arabinose
guanine
dihydroxybenzoic acid
2-oxoadipate
ribonic acid
galactonate
chorismate
cystine
deoxyinosine
2,3-bisphospho-D-glycerate
inosine
kaempferol
indole-3-glycerol-phosphate
C4H6O4
C5H6N2O2
C5H4N4O
C7H7NO2
C5H12N4O
C5H10O5
C5H5N5O
C7H6O4
C6H8O5
C5H10O6
C6H12O7
C10H10O6
C6H12N2O4S2
C10H12N4O4
C3H8O10P2
C10H12N4O5
C15H10O6
C11H14NO6P
118.0266
126.0429
136.0385
137.0477
144.1011
150.0528
151.0494
154.0266
160.0372
166.0477
196.0583
226.0477
240.0238
252.0859
265.9593
268.0808
286.0477
287.0559
ribulose-1,5-bisphosphate
5-enolpyruvyl-shikimate-3phosphate
ergosta-5,7,22,24(28)-tetraen3-b-ol
C5H12O11P2
309.9855
C10H13O10P
324.0246
C28H42O
394.3236
Chromosome 6
Changing
Bin
99
107
113
136
143
149
165
181
200
213
215
216
217
218
219
221
222
258
279
337
353
354
377
379
395
Possible ID
#N/A
#N/A
3-cyanoalanine
4-aminobenzoate
4-guanidino-butanamide
arabinose
ribonic acid
dimethoxybenzoic acid
#N/A
2-oxo-3-hydroxy-4-phosphobutanoate
erythronate-4-phosphate
#N/A
#N/A
4-amino-2-methyl-5-phosphomethylpyrimidine
3-(imidazol-4-yl)-2-oxopropyl phosphate
cystathionine
4-methyl-5-(2-phosphoethyl)-thiazole
glucosamine-1-phosphate
linoleic acid
1-(5'-phosphoribosyl)-5-amino-4-imidazolecarboxamide
5-amino-6-(5'-phosphoribosylamino)-uracil
2-amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine
GA17
#N/A
ergocalciferol
Formula
#N/A
#N/A
C4H6N2O2
C7H7NO2
C5H12N4O
C5H10O5
C5H10O6
C9H10O4
#N/A
C4H7O8P
C4H9O8P
#N/A
#N/A
C6H10N3O4P
C6H9N2O5P
C7H14N2O4S
C6H10NO4PS
C6H14NO8P
C18H32O2
C9H15N4O8P
C9H15N4O9P
Accurate
Mass
#N/A
#N/A
114.0429
137.0477
144.1011
150.0528
166.0477
182.0579
#N/A
213.9879
216.0035
#N/A
#N/A
219.0409
220.0249
222.0674
223.0068
259.0457
280.2402
338.0627
354.0577
C7H11N5O8P2
C20H26O7
#N/A
C28H44O
355.0083
378.1679
#N/A
396.3392
Chromosome 7
Changing Bin
87
89
90
99
105
107
111
113
117
125
135
143
149
150
163
181
185
200
215
217
218
279
305
337
394
Possible ID
pyruvate
oxalic acid
Formula
C3H4O3
C2H2O4
Accurate Mass
88.01604
89.99531
glyceric acid
C3H6O4
106.0266
uracil
3-cyanoalanine
succinic acid
thymine
hypoxanthine
4-guanidino-butanamide
arabinose
guanine
coumaric acid
dimethoxybenzoic acid
2-phosphoglyceric acid
C4H4N2O2
C4H6N2O2
C4H6O4
C5H6N2O2
C5H4N4O
C5H12N4O
C5H10O5
C5H5N5O
C9H8O3
C9H10O4
C3H7O7P
112.0273
114.0429
118.0266
126.0429
136.0385
144.1011
150.0528
151.0494
164.0473
182.0579
185.9929
erythronate-4-phosphate
C4H9O8P
216.0035
C6H10N3O4P
C18H32O2
C9H11N2O8P
219.0409
280.2402
306.0253
C9H15N4O8P
338.0627
4-amino-2-methyl-5phosphomethylpyrimidine
linoleic acid
2',3'-cyclic UMP
1-(5'-phosphoribosyl)-5-amino-4imidazolecarboxamide
Chromosome 8
Changing Bin
89
90
99
107
117
129
137
138
143
163
168
181
191
192
200
213
215
216
217
218
219
286
353
354
381
Possible ID
oxalic acid
Formula
C2H2O4
Accurate Mass
89.99531
succinic acid
itaconate
salicylic acid
hydroxynicotinic acid
4-guanidino-butanamide
coumaric acid
1-amino-propan-2-one-3-phosphate
dimethoxybenzoic acid
citric acid
C4H6O4
C5H6O4
C7H6O3
C6H5NO3
C5H12N4O
C9H8O3
C3H8NO5P
C9H10O4
C6H8O7
118.0266
130.0266
138.0317
139.0269
144.1011
164.0473
169.014
182.0579
192.027
2-oxo-3-hydroxy-4-phosphobutanoate
erythronate-4-phosphate
C4H7O8P
C4H9O8P
213.9879
216.0035
4-amino-2-methyl-5-phosphomethylpyrimidine
3-(imidazol-4-yl)-2-oxopropyl phosphate
indole-3-glycerol-phosphate
5-amino-6-(5'-phosphoribosylamino)-uracil
2-amino-7,8-dihydro-4-hydroxy-6(diphosphooxymethyl)-pteridine
trans,trans-farnesyl diphosphate
C6H10N3O4P
C6H9N2O5P
C11H14NO6P
C9H15N4O9P
219.0409
220.0249
287.0559
354.0577
C7H11N5O8P2
C15H28O7P2
355.0083
382.131
Chromosome 9
Changing Bin
107
111
117
125
129
135
136
143
149
165
181
215
216
217
218
222
228
237
265
286
309
353
354
393
395
Possible ID
Formula
Accurate Mass
uracil
succinic acid
thymine
itaconate
hypoxanthine
4-aminobenzoate
4-guanidino-butanamide
arabinose
ribonic acid
dimethoxybenzoic acid
erythronate-4-phosphate
C4H4N2O2
C4H6O4
C5H6N2O2
C5H6O4
C5H4N4O
C7H7NO2
C5H12N4O
C5H10O5
C5H10O6
C9H10O4
C4H9O8P
112.0273
118.0266
126.0429
130.0266
136.0385
137.0477
144.1011
150.0528
166.0477
182.0579
216.0035
4-amino-2-methyl-5-phosphomethylpyrimidine
4-methyl-5-(2-phosphoethyl)-thiazole
5-phosphoribosylamine
erythro-1-(imidazol-4-yl)glycerol-3-phosphate
2,3-bisphospho-D-glycerate
indole-3-glycerol-phosphate
ribulose-1,5-bisphosphate
5-amino-6-(5'-phosphoribosylamino)-uracil
2-amino-7,8-dihydro-4-hydroxy-6(diphosphooxymethyl)-pteridine
ergosta-5,7,22,24(28)-tetraen-3-b-ol
ergocalciferol
C6H10N3O4P
C6H10NO4PS
C5H12NO7P
C6H11N2O6P
C3H8O10P2
C11H14NO6P
C5H12O11P2
C9H15N4O9P
219.0409
223.0068
229.0351
238.0355
265.9593
287.0559
309.9855
354.0577
C7H11N5O8P2
C28H42O
C28H44O
355.0083
394.3236
396.3392
Chromosome 10
Changing Bin
73
91
98
100
111
117
135
138
142
149
151
163
181
200
215
216
217
218
261
279
323
373
393
394
395
Possible ID
glyoxylic acid
glycerol
Formula
C2H2O3
C3H8O3
Accurate Mass
74.00039
92.04734
uracil
succinic acid
hypoxanthine
hydroxynicotinic acid
5-(2-hydroxyethyl)-4-methylthiazole
arabinose
alloxanthine
coumaric acid
dimethoxybenzoic acid
C4H4N2O2
C4H6O4
C5H4N4O
C6H5NO3
C6H9NOS
C5H10O5
C5H4N4O2
C9H8O3
C9H10O4
112.0273
118.0266
136.0385
139.0269
143.0405
150.0528
152.0334
164.0473
182.0579
erythronate-4-phosphate
C4H9O8P
216.0035
4-amino-2-methyl-5phosphomethylpyrimidine
mannitol-1-phosphate
linoleic acid
5-enolpyruvyl-shikimate-3-phosphate
C6H10N3O4P
C6H15O9P
C18H32O2
C10H13O10P
219.0409
262.0454
280.2402
324.0246
ergosta-5,7,22,24(28)-tetraen-3-b-ol
C28H42O
394.3236
ergocalciferol
C28H44O
396.3392
Chromosome 11
Changing Bin
75
90
101
107
117
119
138
143
149
161
179
180
181
196
200
201
204
205
214
215
217
218
323
337
395
Possible ID
glycolic acid
Formula
C2H4O3
Accurate Mass
76.01604
2-oxobutanoate
C4H6O3
102.0317
succinic acid
erythrose and isomers
hydroxynicotinic acid
4-guanidino-butanamide
arabinose
anabasine
glucose and isomers
tyrosine
dimethoxybenzoic acid
3-4-dihydroxy-L-phenylalanine
C4H6O4
C4H8O4
C6H5NO3
C5H12N4O
C5H10O5
C10H14N2
C6H12O6
C9H11NO3
C9H10O4
C9H11NO4
118.0266
120.0423
139.0269
144.1011
150.0528
162.1157
180.0634
181.0739
182.0579
197.0688
spermine
lipoamide
homoisocitrate
O-phospho-4-hydroxy-L-threonine
erythronate-4-phosphate
C10H26N4
C8H15NOS2
C7H10O7
C4H10NO7P
C4H9O8P
202.2157
205.0595
206.0427
215.0195
216.0035
4-amino-2-methyl-5-phosphomethylpyrimidine
5-enolpyruvyl-shikimate-3-phosphate
1-(5'-phosphoribosyl)-5-amino-4imidazolecarboxamide
ergocalciferol
C6H10N3O4P
C10H13O10P
219.0409
324.0246
C9H15N4O8P
C28H44O
338.0627
396.3392
Chromosome 12
Changing Bin
89
90
107
143
149
153
161
181
185
199
211
227
237
241
251
259
299
303
305
309
323
353
354
355
393
Possible ID
oxalic acid
Formula
C2H2O4
Accurate Mass
89.99531
4-guanidino-butanamide
arabinose
dihydroxybenzoic acid
anabasine
dimethoxybenzoic acid
2-phosphoglyceric acid
erythrose-4-phosphate
C5H12N4O
C5H10O5
C7H6O4
C10H14N2
C9H10O4
C3H7O7P
C4H9O7P
144.1011
150.0528
154.0266
162.1157
182.0579
185.9929
200.0086
(R)-5-phosphomevalonate
erythro-1-(imidazol-4-yl)glycerol-3-phosphate
thymidine
deoxyinosine
1L-myo-inositol-1-phosphate
C6H13O7P
C6H11N2O6P
C10H14N2O5
C10H12N4O4
C6H13O9P
228.0399
238.0355
242.0903
252.0859
260.0297
pentahydroxyflavanone
2',3'-cyclic UMP
ribulose-1,5-bisphosphate
5-enolpyruvyl-shikimate-3-phosphate
5-amino-6-(5'-phosphoribosylamino)-uracil
2-amino-7,8-dihydro-4-hydroxy-6(diphosphooxymethyl)-pteridine
5-amino-6-(5'-phosphoribitylamino)-uracil
ergosta-5,7,22,24(28)-tetraen-3-b-ol
C15H12O7
C9H11N2O8P
C5H12O11P2
C10H13O10P
C9H15N4O9P
304.0583
306.0253
309.9855
324.0246
354.0577
C7H11N5O8P2
C9H17N4O9P
C28H42O
355.0083
356.0733
394.3236