Name |
Sum Formula |
Exact Mass |
Pubchem ID |
Spectra Count |
Tags |
[M-H]- |
[M+Cl]- |
[M-H2O-H]- |
[M-H2O+H]+ |
[M+H]+ |
[M+Na]+ |
[M+NH4]+ |
[M+CH3OH+H]+ |
[M+K]+ |
BUTANAL |
C4H8O |
72.05751 |
261 |
2 |
- |
71.05024 |
107.02692 |
53.03967 |
55.05423 |
73.06479 |
95.04674 |
90.09134 |
105.09101 |
111.02067 |
Glycine |
C2H5NO2 |
75.03203 |
5257127 |
8 |
- |
74.02475 |
110.00143 |
56.01419 |
58.02874 |
76.03930 |
98.02125 |
93.06585 |
108.06552 |
113.99519 |
CYCLOPENTANONE |
C5H8O |
84.05751 |
8452 |
1 |
- |
83.05024 |
119.02692 |
65.03967 |
67.05423 |
85.06479 |
107.04674 |
102.09134 |
117.09101 |
123.02067 |
DIACETYL |
C4H6O2 |
86.03678 |
650 |
1 |
- |
85.02950 |
121.00618 |
67.01894 |
69.03349 |
87.04406 |
109.02600 |
104.07060 |
119.07027 |
124.99994 |
2-METHYLPROPANAL OXIME |
C4H9NO |
87.06841 |
5324282 |
1 |
- |
86.06114 |
122.03782 |
68.05057 |
70.06513 |
88.07569 |
110.05763 |
105.10224 |
120.10191 |
126.03157 |
PYRUVATE |
C3H4O3 |
88.01604 |
1060 |
2 |
- |
87.00877 |
122.98545 |
68.99820 |
71.01276 |
89.02332 |
111.00526 |
106.04987 |
121.04954 |
126.97920 |
2-METHYLPROPANOATE |
C4H8O2 |
88.05243 |
6590 |
1 |
- |
87.04515 |
123.02183 |
69.03459 |
71.04914 |
89.05971 |
111.04165 |
106.08626 |
121.08592 |
127.01559 |
ACETOIN |
C4H8O2 |
88.05243 |
179 |
2 |
- |
87.04515 |
123.02183 |
69.03459 |
71.04914 |
89.05971 |
111.04165 |
106.08626 |
121.08592 |
127.01559 |
SARCOSINE |
C3H7NO2 |
89.04768 |
1088 |
3 |
- |
88.04040 |
124.01708 |
70.02984 |
72.04439 |
90.05495 |
112.03690 |
107.08150 |
122.08117 |
128.01084 |
D-ALANINE |
C3H7NO2 |
89.04768 |
71080 |
3 |
- |
88.04040 |
124.01708 |
70.02984 |
72.04439 |
90.05495 |
112.03690 |
107.08150 |
122.08117 |
128.01084 |
L-ALANINE |
C3H7NO2 |
89.04768 |
5950 |
9 |
- |
88.04040 |
124.01708 |
70.02984 |
72.04439 |
90.05495 |
112.03690 |
107.08150 |
122.08117 |
128.01084 |
(S)-LACTATE |
C3H6O3 |
90.03169 |
107689 |
1 |
- |
89.02442 |
125.00110 |
71.01385 |
73.02841 |
91.03897 |
113.02091 |
108.06552 |
123.06519 |
128.99485 |
ANILINE |
C6H7N |
93.05785 |
6115 |
3 |
- |
92.05057 |
128.02725 |
-1.00000 |
-1.00000 |
94.06513 |
116.04707 |
111.09167 |
126.09134 |
132.02101 |
2-HYDROXYPYRIDINE |
C5H5NO |
95.03711 |
8871 |
2 |
- |
94.02984 |
130.00652 |
76.01927 |
78.03383 |
96.04439 |
118.02633 |
113.07094 |
128.07060 |
134.00027 |
5-VALEROLACTONE |
C5H8O2 |
100.05243 |
10953 |
5 |
- |
99.04515 |
135.02183 |
81.03459 |
83.04914 |
101.05971 |
123.04165 |
118.08626 |
133.08592 |
139.01559 |
1-AMINOCYCLOPROPANE-1-CARBOXYLATE |
C4H7NO2 |
101.04768 |
535 |
2 |
- |
100.04040 |
136.01708 |
82.02984 |
84.04439 |
102.05495 |
124.03690 |
119.08150 |
134.08117 |
140.01084 |
SUCCINATE SEMIALDEHYDE |
C4H6O3 |
102.03169 |
1112 |
1 |
- |
101.02442 |
137.00110 |
83.01385 |
85.02841 |
103.03897 |
125.02091 |
120.06552 |
135.06519 |
140.99485 |
3-AMINOISOBUTANOATE |
C4H9NO2 |
103.06333 |
64956 |
1 |
- |
102.05605 |
138.03273 |
84.04549 |
86.06004 |
104.07060 |
126.05255 |
121.09715 |
136.09682 |
142.02649 |
2-AMINO-2-METHYLPROPANOATE |
C4H9NO2 |
103.06333 |
6119 |
5 |
- |
102.05605 |
138.03273 |
84.04549 |
86.06004 |
104.07060 |
126.05255 |
121.09715 |
136.09682 |
142.02649 |
4-AMINOBUTANOATE |
C4H9NO2 |
103.06333 |
119 |
3 |
- |
102.05605 |
138.03273 |
84.04549 |
86.06004 |
104.07060 |
126.05255 |
121.09715 |
136.09682 |
142.02649 |
HYDROXYPYRUVATE |
C3H4O4 |
104.01096 |
964 |
1 |
- |
103.00368 |
138.98036 |
84.99312 |
87.00767 |
105.01824 |
127.00018 |
122.04478 |
137.04445 |
142.97412 |
2-HYDROXYBUTYRIC ACID |
C4H8O3 |
104.04734 |
440864 |
2 |
- |
103.04007 |
139.01675 |
85.02950 |
87.04406 |
105.05462 |
127.03656 |
122.08117 |
137.08084 |
143.01050 |
ALPHA-HYDROXYISOBUTYRIC ACID |
C4H8O3 |
104.04734 |
11671 |
1 |
- |
103.04007 |
139.01675 |
85.02950 |
87.04406 |
105.05462 |
127.03656 |
122.08117 |
137.08084 |
143.01050 |
3-HYDROXYBUTANOIC ACID |
C4H8O3 |
104.04734 |
92135 |
3 |
- |
103.04007 |
139.01675 |
85.02950 |
87.04406 |
105.05462 |
127.03656 |
122.08117 |
137.08084 |
143.01050 |
L-2,3-DIAMINOPROPIONIC ACID |
C3H8N2O2 |
104.05858 |
97328 |
1 |
- |
103.05130 |
139.02798 |
85.04074 |
87.05529 |
105.06585 |
127.04780 |
122.09240 |
137.09207 |
143.02174 |
435 molecule(s) with at least one fragmentation spectrum