library_table: 2
This data as json
| rowid | scan | spectrum_id | collision_energy | Adduct | Compound_Source | Compound_Name | Precursor_MZ | ExactMass | Charge | Ion_Mode | Smiles | INCHI | InChIKey_smiles | msManufacturer | msMassAnalyzer | msIonisation | msDissociationMethod | GNPS_library_membership | ppmBetweenExpAndThMass | classyfire_kingdom | classyfire_superclass | classyfire_class | classyfire_subclass | classyfire_direct_parent | np_classifier_nplikeness | falcon_cluster | spectrum_id_int | representative_spectrum_int | InChIKey_smiles_firstBlock | fp_pattern | fp_popcnt | fp_morgan | fp_morgan_popcnt |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2 | 2 | CCMSLIB00000001548 | [M+H]1+ | isolated | Hoiamide B | 940.25 | 939.451956536 | 1 | positive | CCCC(C)C(O)C(C)C1OC(=O)C(C(C)O)NC(=O)C(C(C)CC)OC(=O)C(C)C(O)C(C(C)CC)NC(=O)C2(C)CSC(=N2)C2(C)CSC(=N2)c2csc(n2)CC(OC)C1C | InChI=1S/C45H73N5O10S3/c1-14-17-24(6)34(52)26(8)37-25(7)30(58-13)18-31-46-29(19-61-31)39-49-45(12,21-62-39)43-50-44(11,20-63-43)42(57)48-32(22(4)15-2)35(53)27(9)40(55)59-36(23(5)16-3)38(54)47-33(28(10)51)41(56)60-37/h19,22-28,30,32-37,51-53H,14-18,20-21H2,1-13H3,(H,47,54)(H,48,57) | KNGPFNUOXXLKCN-UHFFFAOYSA-N | qtof | ESI | GNPS-LIBRARY | 222.4836459813232 | Organic compounds | Organic acids and derivatives | Peptidomimetics | Depsipeptides | Cyclic depsipeptides | 1.43 | 453410 | 2 | 2 | KNGPFNUOXXLKCN | <Binary: 256 bytes> | 901 | <Binary: 256 bytes> | 96 |