precursor_mz
float32 | precursor_charge
int32 | mzs
sequence | intensities
sequence | collision_energy
float32 | instrument_type
string | in_silico
bool | smiles
string | adduct
string | compound_class
string |
|---|---|---|---|---|---|---|---|---|---|
123.449997 | 1 | [
100.5,
150.75,
200.85000610351562,
250.9499969482422,
300.1499938964844,
350.25,
400.3500061035156,
450.45001220703125,
500.54998779296875,
550.6500244140625
] | [
0.10000000149011612,
0.5,
0.8999999761581421,
0.4000000059604645,
0.6000000238418579,
0.20000000298023224,
0.800000011920929,
0.30000001192092896,
0.699999988079071,
0.5
] | 25 | Orbitrap | false | CCO | [M+H]+ | alkaloid |
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