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
C33H31N3O6
test
13
C33H34N6O6
test
32
C33H36O8
test
13
C33H37N5O5
test
45
C33H38O17
test
13
C33H40O20
test
87
C33H41ClN6O2
test
18
C33H43FN10O6
test
14
C33H44N4O10
test
60
C33H44O8
test
13
C33H46N2O3
test
20
C33H54O8
test
9
C33H57N3O9
test
22
C34H28O22
test
42
C34H36N4O6
test
16
C34H38N2O4
test
13
C34H38O8
test
5
C34H39N3O9
test
8
C34H40N2O18
test
14
C34H41NO16
test
42
C34H43N3O3
test
8
C34H44N4O4
test
48
C34H46ClN3O10
test
41
C34H52O7
test
16
C34H54O23
test
26
C35H36ClNO3S
test
29
C35H39F3N8O3
test
11
C35H44O18
test
13
C35H44O19
test
34
C35H46O20
test
70
C35H52O15
test
9
C35H52O5S2
test
10
C35H54O11
test
8
C36H32N6O3
test
15
C36H38F2O2
test
8
C36H39NO17
test
16
C36H40FN9O3
test
10
C36H48O19
test
31
C36H52O12
test
9
C36H53N7O6
test
45
C36H60O12
test
16
C36H60O8
test
6
C36H61N5O7S
test
47
C37H42N2O6
test
50
C37H44N8O4
test
8
C37H44O4P+
test
8
C37H50O10
test
8
C37H60O10
test
26
C37H70N2O12
test
16
C38H44O8
test
25
C38H47Br2N9O5
test
6
C38H52O6
test
21
C38H58O15
test
15
C38H59FO6
test
6
C38H62N4O16
test
13
C38H64O17
test
15
C39H39Cl2N5O4
test
12
C39H48O21
test
13
C39H53N7O9
test
18
C39H62O14
test
31
C39H65NO12
test
20
C3H7NO2S
test
10
C41H46O17
test
16
C41H48O19
test
16
C41H60O16
test
5
C41H68O13
test
26
C41H72O9
test
13
C42H40O19
test
16
C42H42O19
test
13
C42H52N10O11
test
22
C42H62O17
test
32
C42H66O14
test
131
C42H72O14
test
152
C43H32O20
test
34
C43H48N2O6S2
test
10
C43H67N13O10
test
8
C43H70O15
test
29
C44H66O25
test
8
C44H69NO12
test
48
C45H84O6
test
5
C46H76O18
test
16
C47H64N4O12
test
23
C47H76O18
test
49
C48H54Cl2N10O2S2
test
8
C48H60O22
test
12
C48H72O14
test
31
C48H78O17
test
59
C48H80O17
test
21
C48H80O18
test
16
C49H75NO13
test
11
C49H78O18
test
10
C4H4O4
test
7
C50H80O28
test
19
C51H82O23
test
19
C52H72N8O8
test
2
C52H74Cl2O18
test
13
C52H98N16O13
test
7
C53H86O22
test
142
C53H86O23
test
13
C53H90O24
test
13