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The dataset generation failed because of a cast error
Error code: DatasetGenerationCastError
Exception: DatasetGenerationCastError
Message: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 2 new columns ({'accession', 'instrument'})
This happened while the json dataset builder was generating data using
hf://datasets/k050506koch/SPECTR/mona_massbank_dataset.jsonl (at revision 26a08f9bf068591a63b1f57f078fc0611191c21d)
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback: Traceback (most recent call last):
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1831, in _prepare_split_single
writer.write_table(table)
File "/usr/local/lib/python3.12/site-packages/datasets/arrow_writer.py", line 714, in write_table
pa_table = table_cast(pa_table, self._schema)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2272, in table_cast
return cast_table_to_schema(table, schema)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2218, in cast_table_to_schema
raise CastError(
datasets.table.CastError: Couldn't cast
source: string
name: string
formula: string
precursor_mz: double
adduct: string
ion_mode: null
collision_energy: null
peaks: list<item: struct<m/z: double, intensity: double>>
child 0, item: struct<m/z: double, intensity: double>
child 0, m/z: double
child 1, intensity: double
accession: string
instrument: null
to
{'source': Value('string'), 'name': Value('string'), 'formula': Value('string'), 'precursor_mz': Value('null'), 'adduct': Value('null'), 'ion_mode': Value('null'), 'collision_energy': Value('null'), 'peaks': List({'m/z': Value('float64'), 'intensity': Value('float64')})}
because column names don't match
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1455, in compute_config_parquet_and_info_response
parquet_operations = convert_to_parquet(builder)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1054, in convert_to_parquet
builder.download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 894, in download_and_prepare
self._download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 970, in _download_and_prepare
self._prepare_split(split_generator, **prepare_split_kwargs)
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1702, in _prepare_split
for job_id, done, content in self._prepare_split_single(
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1833, in _prepare_split_single
raise DatasetGenerationCastError.from_cast_error(
datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 2 new columns ({'accession', 'instrument'})
This happened while the json dataset builder was generating data using
hf://datasets/k050506koch/SPECTR/mona_massbank_dataset.jsonl (at revision 26a08f9bf068591a63b1f57f078fc0611191c21d)
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
source string | name string | formula string | precursor_mz null | adduct null | ion_mode null | collision_energy null | peaks list |
|---|---|---|---|---|---|---|---|
MassBank | N-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]acetamide | C16H17NO4 | null | null | null | null | [
{
"m/z": 91.0542,
"intensity": 2280306
},
{
"m/z": 125.0233,
"intensity": 9241725
},
{
"m/z": 154.0499,
"intensity": 755515.1875
},
{
"m/z": 155.0577,
"intensity": 3291112
},
{
"m/z": 185.0961,
"intensity": 3239590.5
},
{
"m/z": 200.107,
"intensity... |
MassBank | (2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione | C18H22O5 | null | null | null | null | [
{
"m/z": 55.0185,
"intensity": 271807.28125
},
{
"m/z": 67.0542,
"intensity": 182020.6875
},
{
"m/z": 68.9971,
"intensity": 98984.078125
},
{
"m/z": 69.0699,
"intensity": 1981164.375
},
{
"m/z": 71.0491,
"intensity": 78678.328125
},
{
"m/z": 79.0542,
... |
MassBank | Isomarticin | C18H16O9 | null | null | null | null | [
{
"m/z": 245.0444,
"intensity": 399611.59375
},
{
"m/z": 253.0495,
"intensity": 46770.91796875
},
{
"m/z": 271.0601,
"intensity": 263749.625
},
{
"m/z": 285.0757,
"intensity": 433434.21875
},
{
"m/z": 287.055,
"intensity": 536339.3125
},
{
"m/z": 289.0... |
MassBank | [(6aR,9S,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-10-yl] acetate | C18H22N2O2 | null | null | null | null | [
{
"m/z": 144.0808,
"intensity": 2060678.5
},
{
"m/z": 168.0808,
"intensity": 1790017.75
},
{
"m/z": 196.1121,
"intensity": 4471582.5
},
{
"m/z": 208.1121,
"intensity": 2985086.5
},
{
"m/z": 239.1543,
"intensity": 47253632
},
{
"m/z": 299.1754,
"int... |
MassBank | (3alpha,7beta,12epsilon)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl beta-D-glucopyranoside | C21H30O11 | null | null | null | null | [
{
"m/z": 69.0342,
"intensity": 22262.87890625
},
{
"m/z": 79.0542,
"intensity": 5866.05322265625
},
{
"m/z": 81.0707,
"intensity": 5323.5078125
},
{
"m/z": 85.0294,
"intensity": 43660.90625
},
{
"m/z": 93.0699,
"intensity": 4805.11474609375
},
{
"m/z":... |
MassBank | Enniatin B1 | C34H59N3O9 | null | null | null | null | [
{
"m/z": 218.1135,
"intensity": 19242446
},
{
"m/z": 336.1765,
"intensity": 94577008
},
{
"m/z": 350.1922,
"intensity": 45196060
},
{
"m/z": 463.2752,
"intensity": 17280250
},
{
"m/z": 549.3146,
"intensity": 33358476
},
{
"m/z": 563.3303,
"intensit... |
MassBank | (3beta,4alpha,7alpha)-3,7,15-Trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl acetate | C17H22O8 | null | null | null | null | [
{
"m/z": 69.0335,
"intensity": 5734857.5
},
{
"m/z": 71.0491,
"intensity": 7495691
},
{
"m/z": 79.0542,
"intensity": 3030623.75
},
{
"m/z": 83.0491,
"intensity": 2873324.75
},
{
"m/z": 85.0284,
"intensity": 4747456.5
},
{
"m/z": 95.0491,
"intensity... |
MassBank | (7aR,10aS)-5-Methoxy-3,4,7a,9,10,10a-hexahydro-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione | C17H14O7 | null | null | null | null | [
{
"m/z": 187.0754,
"intensity": 42895.4765625
},
{
"m/z": 189.0546,
"intensity": 146540.84375
},
{
"m/z": 199.0754,
"intensity": 40835.0078125
},
{
"m/z": 201.0546,
"intensity": 78536.6328125
},
{
"m/z": 201.091,
"intensity": 177850.53125
},
{
"m/z": 2... |
MassBank | 12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)ergotaman-3',6',18-trione | C32H41N5O5 | null | null | null | null | [
{
"m/z": 208.0757,
"intensity": 1372741.5
},
{
"m/z": 223.123,
"intensity": 1832980.375
},
{
"m/z": 225.1022,
"intensity": 1950044.25
},
{
"m/z": 268.1444,
"intensity": 14943789
},
{
"m/z": 291.1703,
"intensity": 1218645.5
},
{
"m/z": 305.1285,
"in... |
MassBank | (3E,5aS,10bR,11aS)-5a-Methyl-10b-(2-methyl-3-buten-2-yl)-3-{[1-(2-methyl-4-oxo-2-pentanyl)-1H-imidazol-4-yl]methylene}-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-di one | C28H33N5O3 | null | null | null | null | [
{
"m/z": 173.022,
"intensity": 168092.171875
},
{
"m/z": 174.0244,
"intensity": 83374.2421875
},
{
"m/z": 185.1073,
"intensity": 16104.7666015625
},
{
"m/z": 205.0482,
"intensity": 20637.943359375
},
{
"m/z": 206.0513,
"intensity": 12909.4541015625
},
{
... |
MassBank | (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | C45H57N3O9 | null | null | null | null | [
{
"m/z": 83.0491,
"intensity": 66209.4296875
},
{
"m/z": 123.0417,
"intensity": 19384.15234375
},
{
"m/z": 134.0964,
"intensity": 403805.03125
},
{
"m/z": 141.0509,
"intensity": 17834.279296875
},
{
"m/z": 156.0781,
"intensity": 82653.46875
},
{
"m/z":... |
MassBank | 3-monoacetyldeoxynivalenol | C17H22O7 | null | null | null | null | [
{
"m/z": 109.0648,
"intensity": 63280.45703125
},
{
"m/z": 125.0597,
"intensity": 83270.1484375
},
{
"m/z": 137.0597,
"intensity": 129615.2578125
},
{
"m/z": 153.0546,
"intensity": 43353.17578125
},
{
"m/z": 163.0754,
"intensity": 32760.791015625
},
{
... |
MassBank | Fumonisin B3 | C34H59NO14 | null | null | null | null | [
{
"m/z": 57.0705,
"intensity": 3560190
},
{
"m/z": 67.0542,
"intensity": 2998775.75
},
{
"m/z": 69.0699,
"intensity": 6813497.5
},
{
"m/z": 70.0651,
"intensity": 3000081.5
},
{
"m/z": 81.0699,
"intensity": 14743021
},
{
"m/z": 83.0855,
"intensity":... |
MassBank | (7R,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one | C18H26O5 | null | null | null | null | [
{
"m/z": 123.0441,
"intensity": 313197
},
{
"m/z": 167.0339,
"intensity": 514156.84375
},
{
"m/z": 277.1798,
"intensity": 304908.625
},
{
"m/z": 287.1642,
"intensity": 1231784.625
},
{
"m/z": 305.1747,
"intensity": 8051995.5
}
] |
MassBank | Satratoxin F | C29H34O10 | null | null | null | null | [
{
"m/z": 54.9316,
"intensity": 3609.30078125
},
{
"m/z": 55.0553,
"intensity": 4191.26611328125
},
{
"m/z": 55.7132,
"intensity": 2944.93603515625
},
{
"m/z": 55.949,
"intensity": 3087.93359375
},
{
"m/z": 62.7537,
"intensity": 3846.110595703125
},
{
"... |
MassBank | (3alpha,7beta,12epsilon)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl beta-D-glucopyranoside | C21H30O11 | null | null | null | null | [
{
"m/z": 219.1016,
"intensity": 27141.521484375
},
{
"m/z": 231.1016,
"intensity": 86343.8203125
},
{
"m/z": 249.1121,
"intensity": 203269.28125
},
{
"m/z": 261.1121,
"intensity": 29675.111328125
},
{
"m/z": 267.1227,
"intensity": 32563.38671875
},
{
"... |
MassBank | Koninginin A | C16H28O4 | null | null | null | null | [
{
"m/z": 57.0706,
"intensity": 2487.4833984375
},
{
"m/z": 81.0699,
"intensity": 4636.537109375
},
{
"m/z": 85.1012,
"intensity": 3387.28662109375
},
{
"m/z": 95.0855,
"intensity": 3128.94677734375
},
{
"m/z": 107.0491,
"intensity": 17940.244140625
},
{
... |
MassBank | (3beta,4alpha,12R)-3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate | C19H26O7 | null | null | null | null | [
{
"m/z": 67.0542,
"intensity": 71311.546875
},
{
"m/z": 69.0335,
"intensity": 107260.9921875
},
{
"m/z": 79.0542,
"intensity": 195484.015625
},
{
"m/z": 81.0699,
"intensity": 467309.4375
},
{
"m/z": 83.0491,
"intensity": 58340.0078125
},
{
"m/z": 85.02... |
MassBank | (3S,6R,9S,12R,15S,18R,21S,24R)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone | C48H84N4O12 | null | null | null | null | [
{
"m/z": 100.1121,
"intensity": 973813.8125
},
{
"m/z": 182.154,
"intensity": 548352.4375
},
{
"m/z": 210.1489,
"intensity": 896744.75
},
{
"m/z": 232.1319,
"intensity": 2416934.25
},
{
"m/z": 250.1424,
"intensity": 1348078.375
},
{
"m/z": 350.1949,
... |
MassBank | 3-hydroxy-4-phenyl-1H-quinolin-2-one | C15H11NO2 | null | null | null | null | [
{
"m/z": 105.0335,
"intensity": 34453796
},
{
"m/z": 132.0444,
"intensity": 124516120
},
{
"m/z": 165.0699,
"intensity": 82192128
},
{
"m/z": 182.0964,
"intensity": 19146848
},
{
"m/z": 192.0808,
"intensity": 291952480
},
{
"m/z": 220.0757,
"intens... |
MassBank | Neosolaniol | C19H26O8 | null | null | null | null | [
{
"m/z": 66.1815,
"intensity": 2192.399658203125
},
{
"m/z": 69.0335,
"intensity": 2683.863037109375
},
{
"m/z": 70.2179,
"intensity": 2404.917236328125
},
{
"m/z": 84.0733,
"intensity": 2230.25390625
},
{
"m/z": 93.0699,
"intensity": 11708.9658203125
},
{... |
MassBank | (1S,3R,3aS,4R,6R,8aR,9R)-Decahydro-1,5,5,8a-tetramethyl-1,4-methanoazulene-3,6,9-triol | C15H26O3 | null | null | null | null | [
{
"m/z": 95.0855,
"intensity": 81537.875
},
{
"m/z": 107.0855,
"intensity": 47283.375
},
{
"m/z": 109.1012,
"intensity": 60261.4140625
},
{
"m/z": 119.0855,
"intensity": 46158.79296875
},
{
"m/z": 121.1012,
"intensity": 52793.171875
},
{
"m/z": 133.101... |
MassBank | Enniatin B1 | C34H59N3O9 | null | null | null | null | [
{
"m/z": 86.0964,
"intensity": 425943040
},
{
"m/z": 100.1121,
"intensity": 212573968
},
{
"m/z": 166.0863,
"intensity": 15496116
},
{
"m/z": 186.1489,
"intensity": 52834592
},
{
"m/z": 196.1332,
"intensity": 47307272
},
{
"m/z": 200.1645,
"intensi... |
MassBank | Fumonisin B2 | C34H59NO14 | null | null | null | null | [
{
"m/z": 57.0705,
"intensity": 1961507.375
},
{
"m/z": 67.0542,
"intensity": 2267654.25
},
{
"m/z": 69.0699,
"intensity": 9838610
},
{
"m/z": 70.0651,
"intensity": 5080490
},
{
"m/z": 74.06,
"intensity": 13388219
},
{
"m/z": 81.0699,
"intensity": 7... |
MassBank | (1R,4S,5S,6R,9R)-5,6-dihydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-3-one | C15H24O3 | null | null | null | null | [
{
"m/z": 95.0855,
"intensity": 3134582.5
},
{
"m/z": 109.0648,
"intensity": 2909063
},
{
"m/z": 109.1012,
"intensity": 2670094
},
{
"m/z": 119.0855,
"intensity": 2488150.75
},
{
"m/z": 121.1012,
"intensity": 5049810
},
{
"m/z": 123.1168,
"intensity... |
MassBank | Chaetoglobosin A | C32H36N2O5 | null | null | null | null | [
{
"m/z": 160.0366,
"intensity": 61574.2109375
},
{
"m/z": 240.0992,
"intensity": 60572.3046875
},
{
"m/z": 287.1152,
"intensity": 75768.2421875
},
{
"m/z": 289.0945,
"intensity": 67213.4140625
},
{
"m/z": 317.0897,
"intensity": 54137.765625
},
{
"m/z":... |
MassBank | 4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione | C17H14N2O3 | null | null | null | null | [
{
"m/z": 120.0444,
"intensity": 711288.375
},
{
"m/z": 146.0236,
"intensity": 1647578.875
},
{
"m/z": 177.0658,
"intensity": 3212849
},
{
"m/z": 208.0757,
"intensity": 135516.78125
},
{
"m/z": 210.0913,
"intensity": 108274.0078125
},
{
"m/z": 236.0706,... |
MassBank | Enniatin A | C36H63N3O9 | null | null | null | null | [
{
"m/z": 100.1121,
"intensity": 384981472
},
{
"m/z": 200.1645,
"intensity": 151052560
},
{
"m/z": 210.1489,
"intensity": 332147936
},
{
"m/z": 228.1594,
"intensity": 170373376
},
{
"m/z": 328.2119,
"intensity": 72911216
}
] |
MassBank | (2S)-6-[(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-2-[(2R,3S,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]hexanoic acid | C52H70N2O11 | null | null | null | null | [
{
"m/z": 67.0542,
"intensity": 3768648
},
{
"m/z": 81.0699,
"intensity": 5941154
},
{
"m/z": 82.0651,
"intensity": 5380232.5
},
{
"m/z": 84.0808,
"intensity": 6080476
},
{
"m/z": 93.0699,
"intensity": 5135854
},
{
"m/z": 95.0855,
"intensity": 12044... |
MassBank | Ethyl 2-[(8-hydroxy-3-methyl-1-oxo-isochroman-7-carbonyl)amino]-3-phenyl-propanoate | C22H23NO6 | null | null | null | null | [
{
"m/z": 120.0808,
"intensity": 15713.01953125
},
{
"m/z": 217.0859,
"intensity": 3222.565673828125
},
{
"m/z": 324.1594,
"intensity": 12932.0205078125
},
{
"m/z": 327.1465,
"intensity": 4720.04052734375
},
{
"m/z": 328.1543,
"intensity": 12977.4130859375
},... |
MassBank | Satratoxin G | C29H36O10 | null | null | null | null | [
{
"m/z": 67.0551,
"intensity": 11914.75
},
{
"m/z": 69.0345,
"intensity": 10664.296875
},
{
"m/z": 79.0553,
"intensity": 28531.490234375
},
{
"m/z": 81.0708,
"intensity": 58553.1796875
},
{
"m/z": 91.0552,
"intensity": 13053.8251953125
},
{
"m/z": 93.0... |
MassBank | (1R,4S,5S,6R,9R)-5,6-dihydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-3-one | C15H24O3 | null | null | null | null | [
{
"m/z": 67.0542,
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MassBank | (5R,10S,10aR,14aS,15bS)-10,10a-dihydroxy-6-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione | C27H33N3O7 | null | null | null | null | [
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MassBank | (3beta,4alpha,12R)-3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate | C19H26O7 | null | null | null | null | [
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MassBank | (1S,4S,7R,10S,13S)-7-(2-methylpropyl)-4,10-di(propan-2-yl)-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone | C22H37N5O5S2 | null | null | null | null | [
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MassBank | 12'-hydroxy-2'-methyl-5' alpha-(1-methylethyl)-ergotaman-3',6',18-trione | C29H35N5O5 | null | null | null | null | [
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MassBank | (2S)-4-acetyl-2-[(2S)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one | C10H15NO3 | null | null | null | null | [
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MassBank | Isomarticin | C18H16O9 | null | null | null | null | [
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MassBank | N-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]acetamide | C16H17NO4 | null | null | null | null | [
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MassBank | 2,4-Dihydroxy-3,5-dimethyl-6-[(2S)-3-oxo-2-butanyl]benzaldehyde | C13H16O4 | null | null | null | null | [
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MassBank | (8alpha)-5'alpha-Benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione | C35H39N5O5 | null | null | null | null | [
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... |
MassBank | (1S,7a'S,11a'R)-5',6',7a',10',11a'-Pentahydroxy-3'-methoxy-2,6,6-trimethyl-7',8',12'-trioxo-7',7a',8',11',11a',12'-hexahydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-9'-carboxamide | C30H31NO10 | null | null | null | null | [
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MassBank | 3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one | C15H12O5 | null | null | null | null | [
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MassBank | (3S,6R,9S,12R,15S,18R,21S,24R)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone | C48H84N4O12 | null | null | null | null | [
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MassBank | (1S,3R,3aS,4R,6R,8aR,9R)-Decahydro-1,5,5,8a-tetramethyl-1,4-methanoazulene-3,6,9-triol | C15H26O3 | null | null | null | null | [
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MassBank | 7,8-Dihydroxy calonectrin | C19H26O8 | null | null | null | null | [
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MassBank | 2,6-Epoxy-2H-naphth(2,3-d)oxocin-4-carboxylic acid, 1,4,5,6,7,12-hexahydro-8,11-dihydroxy-10-methoxy-2-methyl-7,12-dioxo-, (2alpha,4alpha,6alpha)-(+)- | C18H16O9 | null | null | null | null | [
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MassBank | (2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione | C18H22O5 | null | null | null | null | [
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MassBank | (3beta,4alpha,7alpha)-3,7,15-Trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl acetate | C17H22O8 | null | null | null | null | [
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MassBank | Chaetoglobosin A | C32H36N2O5 | null | null | null | null | [
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MassBank | 2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)- | C22H23N5O2 | null | null | null | null | [
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MassBank | Satratoxin G | C29H36O10 | null | null | null | null | [
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MassBank | (1S,4S,7R,10S,13S)-7-(2-methylpropyl)-4,10-di(propan-2-yl)-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone | C22H37N5O5S2 | null | null | null | null | [
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MassBank | Fumonisin B2 | C34H59NO14 | null | null | null | null | [
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MassBank | Enniatin A1 | C35H61N3O9 | null | null | null | null | [
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MassBank | 15-monoacetyldeoxynivalenol | C17H22O7 | null | null | null | null | [
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MassBank | (3S,6S)-3-[(4-hydroxyphenyl)methyl]-3,6-bis(methylsulfanyl)piperazine-2,5-dione | C13H16N2O3S2 | null | null | null | null | [
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MassBank | [4b(2Z,4E,6S,7S)]-4-(6,7-dihydroxy-2,4-octadienoate) 12,13-Epoxy-trichothec-9-ene-4,15-diol | C23H32O7 | null | null | null | null | [
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MassBank | Oxaline | C24H25N5O4 | null | null | null | null | [
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MassBank | 12'-hydroxy-2'-(1-methyl)-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione | C35H39N5O5 | null | null | null | null | [
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MassBank | Fumonisin B3 | C34H59NO14 | null | null | null | null | [
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MassBank | NX2 toxin | C17H24O6 | null | null | null | null | [
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MassBank | [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate | C23H34O5 | null | null | null | null | [
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MassBank | 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid | C53H93N7O13 | null | null | null | null | [
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MassBank | 12,13-Epoxy-3-alpha,7-alpha,15-trihydroxy-9-trichothecen-8-one | C15H20O6 | null | null | null | null | [
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MassBank | (3E,7aS,12aR)-6-Hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-7a-(2-methyl-3-buten-2-yl)-6,7,7a,12-tetrahydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione | C23H25N5O4 | null | null | null | null | [
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MassBank | (3S,8aS)-3-[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C21H25N3O2 | null | null | null | null | [
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MassBank | 3,15-Bis(acetyloxy)-12,13-epoxy-7-hydroxytrichothec-9-en-8-one (3alpha)- | C19H24O8 | null | null | null | null | [
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... |
MassBank | Neosolaniol | C19H26O8 | null | null | null | null | [
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MassBank | Fumiquinazoline F | C21H18N4O2 | null | null | null | null | [
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MassBank | (1R,4S,5S,6R,9R)-5,6-dihydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-3-one | C15H24O3 | null | null | null | null | [
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MassBank | (3beta,4alpha,7alpha)-3,7,15-Trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl acetate | C17H22O8 | null | null | null | null | [
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MassBank | Isomarticin | C18H16O9 | null | null | null | null | [
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MassBank | (1S,4S,7R,10S,13S)-7-(2-methylpropyl)-4,10-di(propan-2-yl)-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone | C22H37N5O5S2 | null | null | null | null | [
{
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MassBank | Averufine | C20H16O7 | null | null | null | null | [
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... |
MassBank | N-((1s)-1-(((2s)-1-hydroxy-3-phenyl-propan-2-yl)carbamoyl)-2-phenyl-ethyl)benzamide | C25H26N2O3 | null | null | null | null | [
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MassBank | (4aS,5R,8R,8aS)-N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide | C20H20N2O9 | null | null | null | null | [
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MassBank | Oxaline | C24H25N5O4 | null | null | null | null | [
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MassBank | Roridin A | C29H40O9 | null | null | null | null | [
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MassBank | Macrofusine | C34H59NO15 | null | null | null | null | [
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MassBank | (1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione | C16H16O8 | null | null | null | null | [
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MassBank | Fumonisin B4 | C34H59NO13 | null | null | null | null | [
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MassBank | Chaetoglobosin A | C32H36N2O5 | null | null | null | null | [
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MassBank | [(6aR,9S,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-10-yl] acetate | C18H22N2O2 | null | null | null | null | [
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MassBank | 15-monoacetyldeoxynivalenol | C17H22O7 | null | null | null | null | [
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MassBank | (2alpha,3alpha,4beta,8alpha)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate | C24H34O9 | null | null | null | null | [
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MassBank | iso-Roridine E | C29H38O8 | null | null | null | null | [
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MassBank | methyl (5S,8S,9S,10R,13R,14R)-17-hydroxy-4,4,8,10,12,13,16-heptamethyl-3,15-dioxo-1,2,5,6,7,9-hexahydrocyclopenta[a]phenanthrene-14-carboxylate | C26H36O5 | null | null | null | null | [
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] |
MassBank | 12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione | C33H35N5O5 | null | null | null | null | [
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MassBank | Sambucinol | C15H22O4 | null | null | null | null | [
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MassBank | (5R,6R,7S)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione | C16H16O8 | null | null | null | null | [
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MassBank | 4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione | C17H14N2O3 | null | null | null | null | [
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MassBank | 2,4-Dihydroxy-3,5-dimethyl-6-[(2S)-3-oxo-2-butanyl]benzaldehyde | C13H16O4 | null | null | null | null | [
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MassBank | (3Z)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methylidene]-6-methylsulfanylpiperazine-2,5-dione | C19H24N2O3S | null | null | null | null | [
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MassBank | (1R,3S,5R,7R)-4,4-Dimethyl-13H-spiro[9,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-5,2'-indole]-3',8,13(1'H)-trione | C21H23N3O3 | null | null | null | null | [
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MassBank | (3alpha,4beta,7alpha)-3,4,7,15-tetrahydroxy-12,13-epoxytrichothec-9-en-8-one | C15H20O7 | null | null | null | null | [
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MassBank | Satratoxin F | C29H34O10 | null | null | null | null | [
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MassBank | 12'-hydroxy-2'-methyl-5' alpha-(1-methylethyl)-ergotaman-3',6',18-trione | C29H35N5O5 | null | null | null | null | [
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MassBank | Satratoxin G | C29H36O10 | null | null | null | null | [
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MassBank | Austin | C27H32O9 | null | null | null | null | [
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End of preview.