Datasets:
dsadd4
/
UltraMS-MSnLib-Benchmark

Dataset card Data Studio Files
xet
 Community
1
formula
stringlengths
5
17
fold
stringclasses
3 values
n_spectra
int64
1
627
C27H46O2
test
5
C27H46O9
test
10
C28H22N2O6
test
10
C28H24O12
test
10
C28H25ClN4O2S
test
12
C28H25NO6
test
34
C28H26N8O
test
5
C28H27N3O3
test
17
C28H27N5O2S
test
5
C28H28ClN3O5
test
16
C28H28F2N6O3
test
22
C28H29N3O5
test
16
C28H29N5OS
test
5
C28H29N7O
test
15
C28H30N2O3
test
4
C28H30O10
test
5
C28H31F3N4O6S
test
14
C28H31N3O3
test
8
C28H31NO2
test
15
C28H31NO6
test
22
C28H32N2O5
test
16
C28H33ClN4O3
test
8
C28H33N5O4S
test
5
C28H33N7O2
test
44
C28H33NO7
test
18
C28H35N7O
test
5
C28H35N7O2
test
18
C28H36N2O4S
test
25
C28H36O15
test
5
C28H38N2O4
test
8
C28H38N2O5
test
10
C28H38N4O4
test
26
C28H38O11
test
8
C28H40N2O5
test
8
C28H45NO6
test
15
C28H47NO4S
test
8
C29H27NO8
test
13
C29H28F3N5O2
test
16
C29H28F4N4O4
test
39
C29H28F5N3O5S
test
13
C29H28N2O5
test
16
C29H29N3O4
test
18
C29H30O13
test
23
C29H31F3N6O2
test
10
C29H32O13
test
20
C29H34N10O3
test
10
C29H35N7O4
test
23
C29H35NO8
test
5
C29H36N4O3
test
13
C29H36O6
test
27
C29H38O12
test
13
C29H39N5O8
test
20
C29H39NO12
test
22
C29H39NO8
test
29
C29H40N4O3
test
5
C29H40O10
test
8
C29H40O8
test
8
C29H42O6
test
31
C30H20O10
test
35
C30H30F2N6O3
test
67
C30H31ClFN5O4
test
8
C30H31FN2O
test
8
C30H32O14
test
10
C30H32O9
test
10
C30H33N5O2
test
9
C30H35NO3
test
8
C30H36N6O4S
test
25
C30H37Cl2N2O2+
test
5
C30H39ClN6O4S2
test
20
C30H40N2O6
test
9
C30H42O12
test
35
C30H44O7
test
78
C30H48O6
test
80
C30H52O3
test
16
C30H52O6
test
27
C30H62O10
test
5
C31H31N3O5
test
24
C31H31N5O2S2
test
8
C31H32N4O3
test
5
C31H32O12
test
4
C31H35ClN8O2
test
30
C31H38N2O5S
test
8
C31H39Cl2N5
test
16
C31H44N2O5S
test
56
C31H44N4O6
test
32
C31H53N9O10
test
18
C32H26O10
test
28
C32H35F3N8OS
test
4
C32H36N2O13
test
16
C32H36N4O2
test
21
C32H37NO12
test
10
C32H43N5O
test
5
C32H46O16
test
36
C32H47FN6O4S
test
16
C32H47N5O6S
test
16
C32H48O8
test
54
C32H50O4
test
11
C32H54O13
test
21
C32H55N4O+
test
16
C33H29N7O
test
5