Metabolomics-Fragment-Annotation
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bless( {
'_CAS_' => '1020661-86-2',
'_INCHIKEY_' => 'RNDAYVNSDZTQEQ-QQYWDQJINA-N',
'_COMPOUND_NAME_' => 'Bipinnatin P,(+)-Bipinnatin P',
'_KNAPSACK_ID_' => 'C00038600',
'_MOLECULAR_FORMULA_' => 'C25H28O11',
'_EXACT_MASS_' => '504.16316174'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_MOLECULAR_FORMULA_' => 'C23H26O11',
'_EXACT_MASS_' => '478.14751167',
'_INCHIKEY_' => 'KSXUAYYEMGKRGW-CGBYMSTNNA-N',
'_CAS_' => '1020661-88-4',
'_COMPOUND_NAME_' => 'Bipinnatin Q,(+)-Bipinnatin Q',
'_KNAPSACK_ID_' => 'C00038601'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_INCHIKEY_' => 'SJBBGMVJNAOUOI-VLURGLOZSA-N',
'_CAS_' => '1065546-02-2',
'_COMPOUND_NAME_' => 'Bipinnatone A',
'_KNAPSACK_ID_' => 'C00038602',
'_MOLECULAR_FORMULA_' => 'C30H38O5',
'_EXACT_MASS_' => '478.27192432'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_MOLECULAR_FORMULA_' => 'C25H30O5',
'_EXACT_MASS_' => '410.20932407',
'_INCHIKEY_' => 'NJIYMLLTXNGJHV-REZTVBANSA-N',
'_CAS_' => '1065546-06-6',
'_KNAPSACK_ID_' => 'C00038603',
'_COMPOUND_NAME_' => 'Bipinnatone B'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_INCHIKEY_' => 'PGWUCFFEOUVLTN-UHFFFAOYSA-N',
'_CAS_' => '52897-70-8',
'_COMPOUND_NAME_' => 'Bis(2,3,6-tribromo-4,5-dihydroxybenzyl) ether',
'_KNAPSACK_ID_' => 'C00038604',
'_EXACT_MASS_' => '589.89746296',
'_MOLECULAR_FORMULA_' => 'C16H29Br3O3Si3'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_COMPOUND_NAME_' => 'Bisaprasin',
'_CAS_' => '112514-43-9',
'_INCHIKEY_' => 'VVFUCWCIWIOTJW-QEYYFATHSA-N',
'_KNAPSACK_ID_' => 'C00038605',
'_MOLECULAR_FORMULA_' => 'C44H46Br4N8O12S4',
'_EXACT_MASS_' => '1321.88515351'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_INCHIKEY_' => 'CUPRGZVKNKNTTN-IMZWYYTHNA-N',
'_CAS_' => '244247-14-1',
'_COMPOUND_NAME_' => 'Bisezakyne A,(-)-Bisezakyne A',
'_KNAPSACK_ID_' => 'C00038606',
'_EXACT_MASS_' => '330.03860587',
'_MOLECULAR_FORMULA_' => 'C15H20BrClO'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_EXACT_MASS_' => '424.02076292',
'_MOLECULAR_FORMULA_' => 'C17H23BrCl2O3',
'_CAS_' => '244247-15-2',
'_INCHIKEY_' => 'WLCJKJLAQCETBJ-NWVDLYHONA-N',
'_COMPOUND_NAME_' => 'Bisezakyne B,(-)-Bisezakyne B',
'_KNAPSACK_ID_' => 'C00038607'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_EXACT_MASS_' => '428.29265977',
'_MOLECULAR_FORMULA_' => 'C27H40O4',
'_COMPOUND_NAME_' => 'Bisgravillol',
'_CAS_' => '932033-22-2',
'_INCHIKEY_' => 'HACJVLBLYFAKNF-UHFFFAOYSA-N',
'_KNAPSACK_ID_' => 'C00038608'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_MOLECULAR_FORMULA_' => 'C20H20O6',
'_EXACT_MASS_' => '356.12598837',
'_CAS_' => '260969-76-4',
'_INCHIKEY_' => 'RSPDYFDYHDJBLU-OMQMIFNENA-N',
'_KNAPSACK_ID_' => 'C00038609',
'_COMPOUND_NAME_' => 'Blepharolide A,(-)-Blepharolide A'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_COMPOUND_NAME_' => 'Blepharolide B,(-)-Blepharolide B',
'_CAS_' => '260969-77-5',
'_INCHIKEY_' => 'VXXMAEFQGRAWNP-KSGRVOAUNA-N',
'_KNAPSACK_ID_' => 'C00038610',
'_EXACT_MASS_' => '340.13107375',
'_MOLECULAR_FORMULA_' => 'C20H20O5'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_MOLECULAR_FORMULA_' => 'C32H52O2',
'_EXACT_MASS_' => '468.39673089999997',
'_COMPOUND_NAME_' => 'Boehmerol acetate',
'_CAS_' => '123409-83-6',
'_INCHIKEY_' => 'LVDIOSHGTKUVMX-VGHIVREWNA-N',
'_KNAPSACK_ID_' => 'C00038611'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_KNAPSACK_ID_' => 'C00038612',
'_CAS_' => '960233-06-1',
'_INCHIKEY_' => 'SPNFRQDQOJKTSQ-ZNZUWQLQNA-N',
'_COMPOUND_NAME_' => 'Boivinide A',
'_MOLECULAR_FORMULA_' => 'C36H54O14',
'_EXACT_MASS_' => '710.35135643'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_INCHIKEY_' => 'CSVNMGCNZRUZHN-LHNIQKSDNA-N',
'_CAS_' => '960233-12-9',
'_COMPOUND_NAME_' => 'Boivinide B',
'_KNAPSACK_ID_' => 'C00038613',
'_EXACT_MASS_' => '694.35644181',
'_MOLECULAR_FORMULA_' => 'C36H54O13'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
'_EXACT_MASS_' => '680.37717725',
'_MOLECULAR_FORMULA_' => 'C36H56O12',
'_CAS_' => '960233-19-6',
'_COMPOUND_NAME_' => 'Boivinide C',
'_INCHIKEY_' => 'BPGWSHOXZQEBEG-PVEWUKRWNA-N',
'_KNAPSACK_ID_' => 'C00038614'
}, 'Metabolomics::Banks::Knapsack' ),
bless( {
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