Validation Log
2025-12-14 21:09:45.251404
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000225/mwtab/json
Study ID:      ST000142
Analysis ID:   AN000225
File format:   json
Status: Contains Validation Issues
Number of Issues: 25

Number of Warnings: 10

Number of Value Errors: 16

Number of Consistency Errors: 2

Number of Format Errors: 5

Issue Log:
Error: An empty value or a null value was detected in ["PROJECT"]["PHONE"]. A legitimate value should be provided for this required key.
Error: An empty value or a null value was detected in ["STUDY"]["PHONE"]. A legitimate value should be provided for this required key.
Error: An empty value or a null value was detected in ["COLLECTION"]["COLLECTION_SUMMARY"]. A legitimate value should be provided for this required key.
Error: An empty value or a null value was detected in ["TREATMENT"]["TREATMENT_SUMMARY"]. A legitimate value should be provided for this required key.
Error: An empty value or a null value was detected in ["SAMPLEPREP"]["SAMPLEPREP_SUMMARY"]. A legitimate value should be provided for this required key.
Error: An empty value or a null value was detected in ["CHROMATOGRAPHY"]["CHROMATOGRAPHY_TYPE"]. A legitimate value should be provided for this required key.
Error: An empty value or a null value was detected in ["CHROMATOGRAPHY"]["INSTRUMENT_NAME"]. A legitimate value should be provided for this required key.
Error: An empty value or a null value was detected in ["CHROMATOGRAPHY"]["COLUMN_NAME"]. A legitimate value should be provided for this required key.
Error: The required property, "FLOW_GRADIENT", in ["CHROMATOGRAPHY"] is missing.
Error: The required property, "FLOW_RATE", in ["CHROMATOGRAPHY"] is missing.
Error: The required property, "COLUMN_TEMPERATURE", in ["CHROMATOGRAPHY"] is missing.
Error: The required property, "SOLVENT_A", in ["CHROMATOGRAPHY"] is missing.
Error: The required property, "SOLVENT_B", in ["CHROMATOGRAPHY"] is missing.
Error: The following metabolites in the, ["MS_METABOLITE_DATA"]["Data"] table were not found in the ["MS_METABOLITE_DATA"]["Metabolites"] table:
	"11beta_17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C0[+Na]+"
	"11beta_17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C0[+QDA adduct+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3_20-dione-13C0[+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3_20-dione-13C1[+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3_20-dione-13C8[+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3_20-dione-13C9[+Na]+"
	"11beta_20-Dihydroxy-3-oxopregn-4-en-21-oic acid-13C0[+QDA adduct+Na]+"
	"11beta-Hydroxy-3_20-dioxopregn-4-en-21-oic acid-13C0[+QDA adduct]+"
	"11b-Hydroxyandrost-4-ene-3_17-dione-13C0[+Na]+"
	"12-(2_3-Dihydroxycyclopentyl)-2-dodecanone-13C0[+13CD3 QDA]+"
	"12-(2_3-Dihydroxycyclopentyl)-2-dodecanone-13C0[+QDA adduct]+"
	"12-(2_3-Dihydroxycyclopentyl)-2-dodecanone-13C14[+QDA adduct]+"
	"12-(2_3-Dihydroxycyclopentyl)-2-dodecanone-13C1[+QDA adduct]+"
	"1_2_3_4-Tetrahydro-4-oxo-1-naphthoate-13C0[+Na]+"
	"12alpha-Bromo-11beta-hydroxypregn-4-ene-3_20-dione-13C0[+QDA adduct]+"
	"12alpha-Bromo-11beta-hydroxypregn-4-ene-3_20-dione-13C0[+QDA adduct+Na]+"
	"12alpha-Bromo-11beta-hydroxypregn-4-ene-3_20-dione-13C1[+QDA adduct+Na]+"
	"12alpha-Bromo-11beta-hydroxypregn-4-ene-3_20-dione-13C8[+QDA adduct+Na]+"
	"12alpha-Fluoro-11beta_17beta-dihydroxyandrost-4-en-3-one-13C0[+QDA adduct+Na]+"
	"12alpha-Fluoro-11beta_17beta-dihydroxyandrosta-1_4-dien-3-one-13C0[+H]+"
	"1_2-dihydroxy-3-keto-5-methylthiopentene-13C0[+QDA adduct+Na]+"
	"1_2-Dihydroxy-5-(methylthio)pent-1-en-3-one-13C0[+H]+"
	"1-(2-Hydroxy-3_4_5_6-tetramethoxyphenyl)-3-(2_3_4_6-tetramethoxyphenyl)-2-propen-1-one-13C0[+QDA adduct]+"
	"14alpha-Hydroxy-5beta-cholest-7-ene-3_6-dione-13C0[+QDA adduct+Na]+"
	"14^-apo-beta-Carotenal-13C0[+13CD3 QDA]+"
	"14^-apo-beta-Carotenal-13C0[+H]+"
	"14^-apo-beta-Carotenal-13C0[+QDA adduct]+"
	"14^-apo-beta-Carotenal-13C10[+13CD3 QDA]+"
	"14^-apo-beta-Carotenal-13C1[+13CD3 QDA]+"
	"14^-apo-beta-Carotenal-13C16[+13CD3 QDA]+"
	"14^-apo-beta-Carotenal-13C17[+13CD3 QDA]+"
	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3_20-dione 7-acetate-13C0[+QDA adduct]+"
	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3_20-dione 7-acetate-13C13[+QDA adduct]+"
	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3_20-dione 7-acetate-13C1[+QDA adduct]+"
	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3_20-dione 7-acetate-13C4[+QDA adduct]+"
	"15-hydroxynorandrostene-3_17-dione glucuronide-13C0[+QDA adduct+Na]+"
	"16alpha_17alpha-Dihydroxyprogesterone acetophenide-13C0[+QDA adduct]+"
	"16alpha_17alpha-Dihydroxyprogesterone acetophenide-13C0[+QDA adduct+Na]+"
	"16alpha-Fluoroandrost-4-ene-3_17-dione-13C0[+H]+"
	"17_21-Dihydroxypregn-4-ene-3_11_20-trione 21-(hydrogensuccinate)-13C0[+Na]+"
	"17beta-Acetyl-1_2_3_4_6alpha_7alpha_10_12_13_14alpha_16_17-dodecahydro-3beta-hydroxy-10beta_13beta-dimethyl-5beta_8beta-etheno-15H-cyclopenta[a]phenanthrene-6_7-dicarboxylic anhydride acetate-13C0[+QDA adduct]+"
	"17beta-Hydroxy-4_4_17-trimethylandrost-5-en-3-one-13C0[+Na]+"
	"17-Methyl-18-norandrosta-4_13(17)-dien-3-one-13C0[+13CD3 QDA]+"
	"17-Methyl-18-norandrosta-4_13(17)-dien-3-one-13C0[+H]+"
	"17-Methyl-18-norandrosta-4_13(17)-dien-3-one-13C0[+QDA adduct+Na]+"
	"(17Z)-3_11-Dioxopregna-4_17(20)-dien-21-oic acid methyl ester-13C0[+Na]+"
	"(17Z)-3_11-Dioxopregna-4_17(20)-dien-21-oic acid methyl ester-13C1[+Na]+"
	"(17Z)-3_11-Dioxopregna-4_17(20)-dien-21-oic acid methyl ester-13C5[+Na]+"
	"(17Z)-3_11-Dioxopregna-4_17(20)-dien-21-oic acid methyl ester-13C8[+Na]+"
	"19-Oxoandrost-4-ene-3_17-dione-13C0[+Na]+"
	"19-Oxoandrost-4-ene-3_17-dione-13C0[+QDA adduct]+"
	"(1R_2R)-3-[(1_2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+13CD3 QDA]+"
	"(1R_2R)-3-[(1_2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+H]+"
	"(1R_2R)-3-[(1_2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+QDA adduct]+"
	"(1R_2R)-3-[(1_2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+QDA adduct+Na]+"
	"(1R_2R)-3-[(1_2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C1[+13CD3 QDA]+"
	"(1R_2R)-3-[(1_2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C5[+13CD3 QDA]+"
	"(1R_6R)-6-Hydroxy-2-succinylcyclohexa-2_4-diene-1-carboxylate-13C0[+Na]+"
	"21-Fluoro-11beta_17-dihydroxy-6alpha-methylpregna-1_4-diene-3_20-dione-13C0[+Na]+"
	"21-Hydroxypregn-4-ene-3_20-dione hydrogen succinate-13C0[+QDA adduct+Na]+"
	"2-(2_4_5-Trimethoxyphenyl)-5_6_7_8-tetramethoxy-4H-1-benzopyran-4-one-13C0[+Na]+"
	"2-(2_4_5-Trimethoxyphenyl)-5_6_7_8-tetramethoxy-4H-1-benzopyran-4-one-13C1[+Na]+"
	"2-(2_4_5-Trimethoxyphenyl)-5_6_7_8-tetramethoxy-4H-1-benzopyran-4-one-13C4[+Na]+"
	"2_2^-Dihydroxy-4-methoxybenzophenone-13C0[+Na]+"
	"2_2^-Dihydroxy-4-methoxybenzophenone-13C0[+QDA adduct]+"
	"2_2^-Dihydroxy-4-methoxybenzophenone-13C0[+QDA adduct+Na]+"
	"2_2^-Dihydroxy-4-methoxybenzophenone-13C1[+QDA adduct+Na]+"
	"2_2^-Dihydroxy-4-methoxybenzophenone-13C3[+QDA adduct+Na]+"
	"(22R_23R)-22_23-Dihydroxy-campest-4-en-3-one-13C0[+QDA adduct+Na]+"
	"2_3^_4_6-Tetrahydroxybenzophenone-13C0[+Na]+"
	"2_3^_4_6-Tetrahydroxybenzophenone-13C0[+QDA adduct+Na]+"
	"2_3^_4_6-Tetrahydroxybenzophenone-13C1[+Na]+"
	"2_3^_4_6-Tetrahydroxybenzophenone-13C8[+Na]+"
	"2_3-Diketo-5-methylthiopentyl-1-phosphate-13C0[+Na]+"
	"2_3-Dinor-6-keto-PGF1 a-13C0[+H]+"
	"2_3-Dinor-6-keto-PGF1 a-13C0[+Na]+"
	"2_3-Diphenyl-1-indanone-13C0[+Na]+"
	"2_3-Diphenyl-1-indanone-13C0[+QDA adduct]+"
	"(23S)-23_25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)-13C0[+13CD3 QDA]+"
	"(23S)-23_25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)-13C0[+H]+"
	"2^_4^_6^-Trihydroxy-3^-formyldihydrochalcone-13C0[+QDA adduct+Na]+"
	"2_6-Dichloroindophenol-13C0[+H]+"
	"2_6-Dichloroindophenol-13C0[+QDA adduct+Na]+"
	"2_6-Dichlorophenolindophenol sodium salt-13C0[+QDA adduct]+"
	"2_6-Dihydroxypseudooxynicotine-13C0[+Na]+"
	"2_6-Dihydroxypseudooxynicotine-13C0[+QDA adduct]+"
	"2_6-Dihydroxypseudooxynicotine-13C0[+QDA adduct+Na]+"
	"2^_7-Dihydroxy-4^_5^-methylenedioxyisoflavone-13C0[+Na]+"
	"2-Acetyl-6-(3-acetyl-2_4_6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2_4-cyclohexadien-1-one-13C0[+QDA adduct+Na]+"
	"2-Amino-4-oxo-6-(1^_2^-dioxoprolyl)-7_8-dihydroxypteridine-13C0[+13CD3 QDA]+"
	"2-Amino-4-oxo-6-(1^_2^-dioxoprolyl)-7_8-dihydroxypteridine-13C0[+QDA adduct]+"
	"2-Amino-4-oxo-6-(1^_2^-dioxoprolyl)-7_8-dihydroxypteridine-13C1[+QDA adduct]+"
	"2-Amino-4-oxo-6-(1^_2^-dioxoprolyl)-7_8-dihydroxypteridine-13C3[+QDA adduct]+"
	"2-Decaprenyl-3-methyl-6-methoxy-1_4-benzoquinone-13C0[+H]+"
	"2^-Deoxysepiapterin-13C0[+H]+"
	"2^-Deoxysepiapterin-13C0[+Na]+"
	"2-Hexaprenyl-3-methyl-6-methoxy-1_4 benzoquinone-13C0[+Na]+"
	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2_4-dienoate-13C0[+H]+"
	"2-Hydroxy-5-methyl-cis_cis-muconic semialdehyde-13C0[+Na]+"
	"2-Hydroxy-5-methyl-cis_cis-muconic semialdehyde-13C0[+QDA adduct+Na]+"
	"2-Hydroxy-6-oxo-(2^-aminophenyl)-hexa-2_4-dienoate-13C0[+13CD3 QDA]+"
	"2-Hydroxy-6-oxo-(2^-aminophenyl)-hexa-2_4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2_4-dienoate-13C0[+13CD3 QDA]+"
	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2_4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2_4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxonona-2_4-diene-1_9-dioate-13C0[+H]+"
	"2-Hydroxy-6-oxonona-2_4-diene-1_9-dioate-13C0[+Na]+"
	"2-Hydroxy-6-oxonona-2_4-diene-1_9-dioate-13C0[+QDA adduct]+"
	"2-Hydroxy-6-oxo-octa-2_4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxo-octa-2_4-dienoate-13C0[+Na]+"
	"2-Hydroxy-6-oxo-octa-2_4-dienoate-13C1[+H]+"
	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1_4-benzoquinone-13C0[+H]+"
	"2-Octaprenyl-3-methyl-6-methoxy-1_4-benzoquinone-13C0[+Na]+"
	"2^-O-Methylisoliquiritigenin-13C0[+H]+"
	"2^-O-Methylodoratol-13C0[+QDA adduct]+"
	"2^-O-Methylodoratol-13C0[+QDA adduct+Na]+"
	"2^^-o-p-Coumaroylaloesin-13C0[+Na]+"
	"2-trans_6-trans-Farnesal-13C0[+13CD3 QDA]+"
	"2-trans_6-trans-Farnesal-13C0[+Na]+"
	"2-trans_6-trans-Farnesal-13C0[+QDA adduct]+"
	"2-trans_6-trans-Farnesal-13C1[+13CD3 QDA]+"
	"2-trans_6-trans-Farnesal-13C13[+Na]+"
	"2-trans_6-trans-Farnesal-13C1[+Na]+"
	"2-trans_6-trans-Farnesal-13C2[+Na]+"
	"3_4-Dihydroxy-2-butanone 4-phosphate-13C0[+H]+"
	"3_4-Dihydroxy-2-butanone 4-phosphate-13C0[+Na]+"
	"3_4-Dihydroxy-9_10-secoandrosta-1_3_5(10)-triene-9_17-dione-13C0[+Na]+"
	"3_4-Dihydroxy-9_10-secoandrosta-1_3_5(10)-triene-9_17-dione-13C0[+QDA adduct+Na]+"
	"3_4-Dihydroxymandelaldehyde-13C0[+H]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C0[+13CD3 QDA]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C0[+QDA adduct]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C1[+13CD3 QDA]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C1[+QDA adduct]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C2[+QDA adduct]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C3[+13CD3 QDA]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C3[+QDA adduct]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C4[+13CD3 QDA]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C4[+QDA adduct]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C8[+13CD3 QDA]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C8[+QDA adduct]+"
	"3_5-Dichloro-4-hydroxyphenylpyruvate-13C0[+Na]+"
	"3_5-Dihydroxy-naphthoquinone-13C0[+13CD3 QDA]+"
	"3_5-Dihydroxy-naphthoquinone-13C0[+H]+"
	"3_5-Diiodo-4-hydroxyphenylpyruvate-13C0[+13CD3 QDA]+"
	"3_5-Diiodo-4-hydroxyphenylpyruvate-13C0[+Na]+"
	"3_5-Dinitro-4-hydroxyphenylpyruvate-13C0[+QDA adduct+Na]+"
	"3_6-Anhydroglucose-13C0[+13CD3 QDA]+"
	"3_6-Anhydroglucose-13C0[+H]+"
	"3_6-Anhydroglucose-13C0[+QDA adduct]+"
	"3_6-Anhydroglucose-13C0[+QDA adduct+Na]+"
	"3_7-Dihydroxy-12-oxocholanoate-13C0[+Na]+"
	"3a_11b_21-Trihydroxy-20-oxo-5b-pregnan-18-al-13C0[+H]+"
	"3a_11b_21-Trihydroxy-20-oxo-5b-pregnan-18-al-13C0[+Na]+"
	"3a_7a_12a-Trihydroxy-5b-cholestan-26-al-13C0[+Na]+"
	"3a_7a-Dihydroxy-5b-cholestan-26-al-13C0[+H]+"
	"3a_7a-Dihydroxy-5b-cholestan-26-al-13C0[+Na]+"
	"3a_7a-Dihydroxy-5b-cholestan-26-al-13C1[+H]+"
	"3-Acetyl-5alpha-androstane-3beta_17beta-diol 3-acetate-13C0[+H]+"
	"3-Acetyl-5alpha-androstane-3beta_17beta-diol 3-acetate-13C0[+Na]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3_5-diene-11_17-dione-13C0[+H]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3_5-diene-11_17-dione-13C0[+QDA adduct+Na]+"
	"3alpha_12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C0[+H]+"
	"3alpha_12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C0[+Na]+"
	"3alpha_12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C0[+QDA adduct]+"
	"3alpha_12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C10[+Na]+"
	"3alpha_12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C1[+Na]+"
	"3alpha_12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C1[+QDA adduct]+"
	"3alpha_12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C8[+Na]+"
	"3alpha_12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C9[+Na]+"
	"3alpha_21-Dihydroxy-homo-5beta-pregn-17a(20)-en-11-one-13C0[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11_20-dione-13C0[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11_20-dione-13C19[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11_20-dione-13C1[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11_20-dione-13C5[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11_20-dione-13C6[+Na]+"
	"3beta_21-Dihydroxy-4_4_14-trimethyl-5alpha-pregn-8-en-20-one-13C0[+Na]+"
	"3beta_21-Dihydroxy-pregna-5_7_9(11)-trien-20-one diacetate-13C0[+Na]+"
	"3beta_21-Dihydroxy-pregna-5_7_9(11)-trien-20-one diacetate-13C1[+Na]+"
	"3beta_5beta-Ketotriol-13C0[+H]+"
	"3beta_5beta-Ketotriol-13C0[+Na]+"
	"3beta_5beta-Ketotriol-13C1[+Na]+"
	"3^^-Deamino-3^^-oxonicotianamine-13C0[+13CD3 QDA]+"
	"3-Ethyl-1_3_4_6_7_11b-hexahydro-9_10-dimethoxy-2H-benzo[a]quinolizin-2-one-13C0[+H]+"
	"3-Hydroxy-1-methylestra-1_3_5(10)_6-tetraen-17-one-13C0[+Na]+"
	"3-Hydroxy-1-methylestra-1_3_5(10)_6-tetraen-17-one-13C0[+QDA adduct+Na]+"
	"3-Hydroxy-2-(4-morpholinylmethyl)estra-1_3_5(10)-trien-17-one-13C0[+QDA adduct+Na]+"
	"3-Hydroxy-5_9_17-trioxo-4_5:9_10-disecoandrosta-1(10)_2-dien-4-oate-13C0[+13CD3 QDA]+"
	"3-Hydroxyestra-1_3_5(10)_6-tetraen-17-one-13C0[+H]+"
	"3-Hydroxyestra-1_3_5(10)_6-tetraen-17-one-13C1[+H]+"
	"3-Hydroxyestra-1_3_5(10)_6-tetraen-17-one-13C4[+H]+"
	"3^-N-Debenzoyl-2^-deoxytaxol-13C0[+QDA adduct+Na]+"
	"3^-N-Debenzoyltaxol-13C0[+13CD3 QDA]+"
	"3^-N-Debenzoyltaxol-13C0[+QDA adduct+Na]+"
	"(3S_2^S)-4-Ketomyxol 2^-alpha-fucoside-13C0[+H]+"
	"4-(2-Aminophenyl)-2_4-dioxobutanoate-13C0[+H]+"
	"4-(2-Aminophenyl)-2_4-dioxobutanoate-13C0[+Na]+"
	"4-(2-Aminophenyl)-2_4-dioxobutanoate-13C0[+QDA adduct]+"
	"4-(2-Aminophenyl)-2_4-dioxobutanoate-13C1[+H]+"
	"4-(2-Aminophenyl)-2_4-dioxobutanoate-13C4[+H]+"
	"4-(2-Aminophenyl)-2_4-dioxobutanoate-13C6[+H]+"
	"4-(2-Aminophenyl)-2_4-dioxobutanoate-13C8[+H]+"
	"4_4a_5_6_7_8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone-13C0[+Na]+"
	"4_4a_5_6_7_8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone-13C0[+QDA adduct+Na]+"
	"4_4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one-13C0[+13CD3 QDA]+"
	"4_4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one-13C0[+H]+"
	"4_4-Difluoropregn-5-ene-3_20-dione-13C0[+H]+"
	"4_4-Dimethyl-14a-formyl-5a-cholesta-8_24-dien-3b-ol-13C0[+Na]+"
	"4^_5_6_7-Tetramethoxyflavone-13C0[+Na]+"
	"4_5-seco-Dopa-13C0[+H]+"
	"4_6-Dideoxy-4-oxo-dTDP-GLC-13C0[+H]+"
	"4_6-Dideoxy-4-oxo-dTDP-GLC-13C0[+QDA adduct]+"
	"4a-Methyl-5a-cholesta-8_24-dien-3-one-13C0[+H]+"
	"4-Benzyloxy-2^-hydroxy-3^_4^_5^_6^-tetramethoxychalcone-13C0[+QDA adduct]+"
	"4-Bromo-3_5-cyclohexadiene-1_2-dione-13C0[+Na]+"
	"4-Bromo-3_5-cyclohexadiene-1_2-dione-13C0[+QDA adduct+Na]+"
	"4-Methyl-4-aza-5-pregnene-3_20-dione-13C0[+H]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C0[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C0[+H]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C0[+Na]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C0[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C10[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C11[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C1[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C13[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C14[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C1[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C2[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C2[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C8[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C8[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C9[+13CD3 QDA]+"
	"5-(3^-Carboxy-3^-oxopropyl)-4_6-dihydroxypicolinate-13C0[+H]+"
	"5a_11a-Dehydrochlortetracycline-13C0[+H]+"
	"5a_11a-Dehydrochlortetracycline-13C0[+Na]+"
	"5a_11a-Dehydrochlortetracycline-13C1[+Na]+"
	"5a_11a-Dehydrochlortetracycline-13C8[+Na]+"
	"5a_11a-Dehydrooxytetracycline-13C0[+Na]+"
	"5a_11a-Dehydrooxytetracycline-13C0[+QDA adduct]+"
	"5a_11a-Dehydrooxytetracycline-13C14[+QDA adduct]+"
	"5a_11a-Dehydrooxytetracycline-13C15[+QDA adduct]+"
	"5a_11a-Dehydrooxytetracycline-13C17[+QDA adduct]+"
	"5a_11a-Dehydrooxytetracycline-13C1[+QDA adduct]+"
	"6-(3_3-DMA)chrysin-13C0[+H]+"
	"6-(3_3-DMA)galangin-13C0[+QDA adduct]+"
	"6-(3_3-DMA)galangin-13C0[+QDA adduct+Na]+"
	"6_6^-Dibromoindigotin-13C0[+13CD3 QDA]+"
	"6_6^-Dibromoindigotin-13C1[+13CD3 QDA]+"
	"6_6^-Dibromoindigotin-13C8[+13CD3 QDA]+"
	"6_8a-Seco-6_8a-deoxy-5-oxoavermectin ^^2a^^ aglycone-13C0[+Na]+"
	"6_8a-Seco-6_8a-deoxy-5-oxoavermectin ^^2b^^ aglycone-13C0[+H]+"
	"6_8a-Seco-6_8a-deoxy-5-oxoavermectin ^^2b^^ aglycone-13C0[+Na]+"
	"6_8a-Seco-6_8a-deoxy-5-oxoavermectin ^^2b^^ aglycone-13C1[+H]+"
	"6_8-Diprenylnaringenin-13C0[+QDA adduct]+"
	"6alpha_9-Difluoro-11beta-hydroxypregn-4-ene-3_20-dione-13C0[+H]+"
	"6^^^-Deamino-6^^^-dehydro-6^^^-oxoneomycin C-13C0[+Na]+"
	"6-Imino-5-oxocyclohexa-1_3-dienecarboxylate-13C0[+13CD3 QDA]+"
	"7alpha-Methyl-4-pregnene-3_20-dione-13C0[+Na]+"
	"7alpha-Methyl-4-pregnene-3_20-dione-13C0[+QDA adduct]+"
	"7alpha-Methyl-4-pregnene-3_20-dione-13C17[+Na]+"
	"7alpha-Methyl-4-pregnene-3_20-dione-13C1[+Na]+"
	"7-Hydroxy-6-methylhepta-3_5-dienal-13C0[+Na]+"
	"7-Hydroxy-6-methylhepta-3_5-dienal-13C0[+QDA adduct]+"
	"7-Hydroxy-6-methylhepta-3_5-dienal-13C1[+QDA adduct]+"
	"7-Methyl-2-hydroxy-6-oxoocta-2_4-dienoate-13C0[+H]+"
	"7-Methyl-2-hydroxy-6-oxoocta-2_4-dienoate-13C0[+QDA adduct]+"
	"8_8a-Deoxyoleandolide-13C0[+H]+"
	"8_8a-Deoxyoleandolide-13C0[+Na]+"
	"9alpha-Fluoro-11beta_16alpha_17alpha_21-tetrahydroxypregn-4-ene-3_20-dione-13C0[+Na]+"
	"9alpha-Fluoro-11beta_16alpha_17alpha_21-tetrahydroxypregn-4-ene-3_20-dione-13C14[+Na]+"
	"9alpha-Fluoro-11beta_16alpha_17alpha_21-tetrahydroxypregn-4-ene-3_20-dione-13C1[+Na]+"
	"9alpha-Fluoro-11beta_16alpha_17alpha_21-tetrahydroxypregn-4-ene-3_20-dione-13C9[+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C0[+13CD3 QDA]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C0[+QDA adduct]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C0[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C1[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C4[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C9[+QDA adduct+Na]+"
	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3_11-dione-13C0[+13CD3 QDA]+"
	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3_11-dione-13C0[+Na]+"
	"9-Chloro-11beta_17_21-trihydroxypregn-4-ene-3_20-dione 21-acetate-13C0[+QDA adduct+Na]+"
	"9-Chloro-11beta_17beta-dihydroxy-17-methylandrost-4-en-3-one-13C0[+13CD3 QDA]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C0[+13CD3 QDA]+"
	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2_20-dione-13C0[+Na]+"
	"9-Thiocyanato-androst-4-ene-3_11_17-trione-13C0[+13CD3 QDA]+"
	"9-Thiocyanato-androst-4-ene-3_11_17-trione-13C0[+QDA adduct+Na]+"
	"Alkannin beta_beta-dimethylacrylate-13C0[+QDA adduct]+"
	"Baicalein 5_6_7-trimethyl ether-13C0[+Na]+"
	"CDP-4-dehydro-3_6-dideoxy-glucose-13C0[+13CD3 QDA]+"
	"Cholesta-4_6-dien-3-one-13C0[+13CD3 QDA]+"
	"Cholesta-4_6-dien-3-one-13C0[+QDA adduct]+"
	"Cholesta-4_6-dien-3-one-13C1[+13CD3 QDA]+"
	"Cyanidin 3-O-3^^_6^^-O-dimalonylglucoside-13C0[+13CD3 QDA]+"
	"Cyanidin 3-O-3^^_6^^-O-dimalonylglucoside-13C0[+H]+"
	"Cyanidin 3-O-3^^_6^^-O-dimalonylglucoside-13C0[+QDA adduct]+"
	"DAHP_ 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C0[+H]+"
	"DAHP_ 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C0[+Na]+"
	"Delphinidin 3-O-(6^^-O-malonyl)-beta-glucoside-3^-O-beta-glucoside-13C0[+Na]+"
	"Dibenzo[1_4]dioxin-2_3-dione-13C0[+Na]+"
	"dTDP-2_6-dideoxy-glycero-hex-2-enos-4-ulose-13C0[+H]+"
	"dTDP-2_6-dideoxy-glycero-hex-2-enos-4-ulose-13C0[+QDA adduct]+"
	"dTDP-2_6-dideoxy-glycero-hex-2-enos-4-ulose-13C1[+H]+"
	"dTDP-2_6-dideoxy-glycero-hex-2-enos-4-ulose-13C4[+H]+"
	"dTDP-3-amino-2_3_6-trideoxy-C-methyl-erythro-hexopyranos-4-ulose-13C0[+13CD3 QDA]+"
	"dTDP-4-oxo-2_3_6-trideoxy-GLC-13C0[+H]+"
	"dTDP-4-oxo-2_3_6-trideoxy-GLC-13C1[+H]+"
	"dTDP-4-oxo-2_6-dideoxy-GLC-13C0[+H]+"
	"Hentriacontane-14_16-dione-13C0[+QDA adduct]+"
	"Homo-A-nor-17a-oxaandrost-3(5)-ene-2_17-dione-13C0[+Na]+"
	"Indole-5_6-quinone-13C0[+13CD3 QDA]+"
	"Indole-5_6-quinone-13C0[+QDA adduct]+"
	"Indole-5_6-quinone-13C0[+QDA adduct+Na]+"
	"Indole-5_6-quinone-13C1[+13CD3 QDA]+"
	"Indole-5_6-quinone-13C1[+QDA adduct]+"
	"Indole-5_6-quinone-13C3[+13CD3 QDA]+"
	"Indole-5_6-quinone-13C5[+13CD3 QDA]+"
	"Indole-5_6-quinone-13C6[+13CD3 QDA]+"
	"Indole-5_6-quinone-13C8[+13CD3 QDA]+"
	"Ingenol 3_20-dibenzoate-13C0[+H]+"
	"Ingenol 3_20-dibenzoate-13C0[+Na]+"
	"Ingenol 3_20-dibenzoate-13C0[+QDA adduct+Na]+"
	"Luteolin 7-O-(6^^-malonylglucoside)-13C0[+13CD3 QDA]+"
	"Luteolin7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4^-O-beta-D-glucuronide-13C0[+QDA adduct+Na]+"
	"N^-Formylkynurenine-13C0[+Na]+"
	"Oxoavermectin ^^2a^^ aglycone-13C0[+Na]+"
	"Oxoavermectin ^^2b^^ aglycone-13C0[+QDA adduct]+"
	"Premithramycin A2^-13C0[+13CD3 QDA]+"
	"Premithramycin A3^-13C0[+H]+"
	"Pyrene-1_6-dione-13C0[+H]+"
	"Sedoheptulose 1_7-bisphosphate-13C0[+Na]+"
	"Sedoheptulose 1_7-bisphosphate-13C0[+QDA adduct]+"
	"Spiro[benzofuran-2(3H)_1^-[2]cyclohexene]-7-chloro-4_6-dimethoxy-6^-methyl-2^-(methylthio)-3_4^-dione-13C0[+13CD3 QDA]+"
	"Spiro[benzofuran-2(3H)_1^-[2]cyclohexene]-7-chloro-4_6-dimethoxy-6^-methyl-2^-(methylthio)-3_4^-dione-13C0[+QDA adduct]+"
Error: The following metabolites in the ["MS_METABOLITE_DATA"]["Metabolites"] table were not found in the ["MS_METABOLITE_DATA"]["Data"] table:
	"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C0[+Na]+"
	"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C0[+QDA adduct+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione-13C0[+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione-13C1[+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione-13C8[+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione-13C9[+Na]+"
	"11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid-13C0[+QDA adduct+Na]+"
	"11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid-13C0[+QDA adduct]+"
	"11b-Hydroxyandrost-4-ene-3,17-dione-13C0[+Na]+"
	"12-(2,3-Dihydroxycyclopentyl)-2-dodecanone-13C0[+13CD3 QDA]+"
	"12-(2,3-Dihydroxycyclopentyl)-2-dodecanone-13C0[+QDA adduct]+"
	"12-(2,3-Dihydroxycyclopentyl)-2-dodecanone-13C14[+QDA adduct]+"
	"12-(2,3-Dihydroxycyclopentyl)-2-dodecanone-13C1[+QDA adduct]+"
	"1,2,3,4-Tetrahydro-4-oxo-1-naphthoate-13C0[+Na]+"
	"12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione-13C0[+QDA adduct]+"
	"12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione-13C0[+QDA adduct+Na]+"
	"12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione-13C1[+QDA adduct+Na]+"
	"12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione-13C8[+QDA adduct+Na]+"
	"12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one-13C0[+QDA adduct+Na]+"
	"12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one-13C0[+H]+"
	"1,2-dihydroxy-3-keto-5-methylthiopentene-13C0[+QDA adduct+Na]+"
	"1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one-13C0[+H]+"
	"1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one-13C0[+QDA adduct]+"
	"14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione-13C0[+QDA adduct+Na]+"
	"14'-apo-beta-Carotenal-13C0[+13CD3 QDA]+"
	"14'-apo-beta-Carotenal-13C0[+H]+"
	"14'-apo-beta-Carotenal-13C0[+QDA adduct]+"
	"14'-apo-beta-Carotenal-13C10[+13CD3 QDA]+"
	"14'-apo-beta-Carotenal-13C1[+13CD3 QDA]+"
	"14'-apo-beta-Carotenal-13C16[+13CD3 QDA]+"
	"14'-apo-beta-Carotenal-13C17[+13CD3 QDA]+"
	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate-13C0[+QDA adduct]+"
	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate-13C13[+QDA adduct]+"
	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate-13C1[+QDA adduct]+"
	"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate-13C4[+QDA adduct]+"
	"15-hydroxynorandrostene-3,17-dione glucuronide-13C0[+QDA adduct+Na]+"
	"16alpha,17alpha-Dihydroxyprogesterone acetophenide-13C0[+QDA adduct]+"
	"16alpha,17alpha-Dihydroxyprogesterone acetophenide-13C0[+QDA adduct+Na]+"
	"16alpha-Fluoroandrost-4-ene-3,17-dione-13C0[+H]+"
	"17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)-13C0[+Na]+"
	"17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate-13C0[+QDA adduct]+"
	"17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one-13C0[+Na]+"
	"17-Methyl-18-norandrosta-4,13(17)-dien-3-one-13C0[+13CD3 QDA]+"
	"17-Methyl-18-norandrosta-4,13(17)-dien-3-one-13C0[+H]+"
	"17-Methyl-18-norandrosta-4,13(17)-dien-3-one-13C0[+QDA adduct+Na]+"
	"(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester-13C0[+Na]+"
	"(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester-13C1[+Na]+"
	"(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester-13C5[+Na]+"
	"(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester-13C8[+Na]+"
	"19-Oxoandrost-4-ene-3,17-dione-13C0[+Na]+"
	"19-Oxoandrost-4-ene-3,17-dione-13C0[+QDA adduct]+"
	"(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+13CD3 QDA]+"
	"(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+H]+"
	"(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+QDA adduct]+"
	"(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+QDA adduct+Na]+"
	"(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C1[+13CD3 QDA]+"
	"(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C5[+13CD3 QDA]+"
	"(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate-13C0[+Na]+"
	"21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione-13C0[+Na]+"
	"21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate-13C0[+QDA adduct+Na]+"
	"2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one-13C0[+Na]+"
	"2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one-13C1[+Na]+"
	"2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one-13C4[+Na]+"
	"2,2'-Dihydroxy-4-methoxybenzophenone-13C0[+Na]+"
	"2,2'-Dihydroxy-4-methoxybenzophenone-13C0[+QDA adduct]+"
	"2,2'-Dihydroxy-4-methoxybenzophenone-13C0[+QDA adduct+Na]+"
	"2,2'-Dihydroxy-4-methoxybenzophenone-13C1[+QDA adduct+Na]+"
	"2,2'-Dihydroxy-4-methoxybenzophenone-13C3[+QDA adduct+Na]+"
	"(22R,23R)-22,23-Dihydroxy-campest-4-en-3-one-13C0[+QDA adduct+Na]+"
	"2,3',4,6-Tetrahydroxybenzophenone-13C0[+Na]+"
	"2,3',4,6-Tetrahydroxybenzophenone-13C0[+QDA adduct+Na]+"
	"2,3',4,6-Tetrahydroxybenzophenone-13C1[+Na]+"
	"2,3',4,6-Tetrahydroxybenzophenone-13C8[+Na]+"
	"2,3-Diketo-5-methylthiopentyl-1-phosphate-13C0[+Na]+"
	"2,3-Dinor-6-keto-PGF1 a-13C0[+H]+"
	"2,3-Dinor-6-keto-PGF1 a-13C0[+Na]+"
	"2,3-Diphenyl-1-indanone-13C0[+Na]+"
	"2,3-Diphenyl-1-indanone-13C0[+QDA adduct]+"
	"(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)-13C0[+13CD3 QDA]+"
	"(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)-13C0[+H]+"
	"2',4',6'-Trihydroxy-3'-formyldihydrochalcone-13C0[+QDA adduct+Na]+"
	"2,6-Dichloroindophenol-13C0[+H]+"
	"2,6-Dichloroindophenol-13C0[+QDA adduct+Na]+"
	"2,6-Dichlorophenolindophenol sodium salt-13C0[+QDA adduct]+"
	"2,6-Dihydroxypseudooxynicotine-13C0[+Na]+"
	"2,6-Dihydroxypseudooxynicotine-13C0[+QDA adduct]+"
	"2,6-Dihydroxypseudooxynicotine-13C0[+QDA adduct+Na]+"
	"2',7-Dihydroxy-4',5'-methylenedioxyisoflavone-13C0[+Na]+"
	"2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one-13C0[+QDA adduct+Na]+"
	"2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine-13C0[+13CD3 QDA]+"
	"2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine-13C0[+QDA adduct]+"
	"2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine-13C1[+QDA adduct]+"
	"2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine-13C3[+QDA adduct]+"
	"2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone-13C0[+H]+"
	"2'-Deoxysepiapterin-13C0[+H]+"
	"2'-Deoxysepiapterin-13C0[+Na]+"
	"2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone-13C0[+Na]+"
	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate-13C0[+H]+"
	"2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde-13C0[+Na]+"
	"2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde-13C0[+QDA adduct+Na]+"
	"2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate-13C0[+13CD3 QDA]+"
	"2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate-13C0[+13CD3 QDA]+"
	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate-13C0[+H]+"
	"2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate-13C0[+Na]+"
	"2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate-13C0[+QDA adduct]+"
	"2-Hydroxy-6-oxo-octa-2,4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxo-octa-2,4-dienoate-13C0[+Na]+"
	"2-Hydroxy-6-oxo-octa-2,4-dienoate-13C1[+H]+"
	"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone-13C0[+H]+"
	"2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone-13C0[+Na]+"
	"2'-O-Methylisoliquiritigenin-13C0[+H]+"
	"2'-O-Methylodoratol-13C0[+QDA adduct]+"
	"2'-O-Methylodoratol-13C0[+QDA adduct+Na]+"
	"2''-o-p-Coumaroylaloesin-13C0[+Na]+"
	"2-trans,6-trans-Farnesal-13C0[+13CD3 QDA]+"
	"2-trans,6-trans-Farnesal-13C0[+Na]+"
	"2-trans,6-trans-Farnesal-13C0[+QDA adduct]+"
	"2-trans,6-trans-Farnesal-13C1[+13CD3 QDA]+"
	"2-trans,6-trans-Farnesal-13C13[+Na]+"
	"2-trans,6-trans-Farnesal-13C1[+Na]+"
	"2-trans,6-trans-Farnesal-13C2[+Na]+"
	"3,4-Dihydroxy-2-butanone 4-phosphate-13C0[+H]+"
	"3,4-Dihydroxy-2-butanone 4-phosphate-13C0[+Na]+"
	"3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione-13C0[+Na]+"
	"3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione-13C0[+QDA adduct+Na]+"
	"3,4-Dihydroxymandelaldehyde-13C0[+H]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C0[+13CD3 QDA]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C0[+QDA adduct]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C1[+13CD3 QDA]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C1[+QDA adduct]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C2[+QDA adduct]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C3[+13CD3 QDA]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C3[+QDA adduct]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C4[+13CD3 QDA]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C4[+QDA adduct]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C8[+13CD3 QDA]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C8[+QDA adduct]+"
	"3,5-Dichloro-4-hydroxyphenylpyruvate-13C0[+Na]+"
	"3,5-Dihydroxy-naphthoquinone-13C0[+13CD3 QDA]+"
	"3,5-Dihydroxy-naphthoquinone-13C0[+H]+"
	"3,5-Diiodo-4-hydroxyphenylpyruvate-13C0[+13CD3 QDA]+"
	"3,5-Diiodo-4-hydroxyphenylpyruvate-13C0[+Na]+"
	"3,5-Dinitro-4-hydroxyphenylpyruvate-13C0[+QDA adduct+Na]+"
	"3,6-Anhydroglucose-13C0[+13CD3 QDA]+"
	"3,6-Anhydroglucose-13C0[+H]+"
	"3,6-Anhydroglucose-13C0[+QDA adduct]+"
	"3,6-Anhydroglucose-13C0[+QDA adduct+Na]+"
	"3,7-Dihydroxy-12-oxocholanoate-13C0[+Na]+"
	"3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al-13C0[+H]+"
	"3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al-13C0[+Na]+"
	"3a,7a,12a-Trihydroxy-5b-cholestan-26-al-13C0[+Na]+"
	"3a,7a-Dihydroxy-5b-cholestan-26-al-13C0[+H]+"
	"3a,7a-Dihydroxy-5b-cholestan-26-al-13C0[+Na]+"
	"3a,7a-Dihydroxy-5b-cholestan-26-al-13C1[+H]+"
	"3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate-13C0[+H]+"
	"3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate-13C0[+Na]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione-13C0[+H]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione-13C0[+QDA adduct+Na]+"
	"3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C0[+H]+"
	"3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C0[+Na]+"
	"3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C0[+QDA adduct]+"
	"3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C10[+Na]+"
	"3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C1[+Na]+"
	"3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C1[+QDA adduct]+"
	"3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C8[+Na]+"
	"3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C9[+Na]+"
	"3alpha,21-Dihydroxy-homo-5beta-pregn-17a(20)-en-11-one-13C0[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione-13C0[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione-13C19[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione-13C1[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione-13C5[+Na]+"
	"3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione-13C6[+Na]+"
	"3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one-13C0[+Na]+"
	"3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate-13C0[+Na]+"
	"3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate-13C1[+Na]+"
	"3beta,5beta-Ketotriol-13C0[+H]+"
	"3beta,5beta-Ketotriol-13C0[+Na]+"
	"3beta,5beta-Ketotriol-13C1[+Na]+"
	"3''-Deamino-3''-oxonicotianamine-13C0[+13CD3 QDA]+"
	"3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one-13C0[+H]+"
	"3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one-13C0[+Na]+"
	"3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one-13C0[+QDA adduct+Na]+"
	"3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one-13C0[+QDA adduct+Na]+"
	"3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate-13C0[+13CD3 QDA]+"
	"3-Hydroxyestra-1,3,5(10),6-tetraen-17-one-13C0[+H]+"
	"3-Hydroxyestra-1,3,5(10),6-tetraen-17-one-13C1[+H]+"
	"3-Hydroxyestra-1,3,5(10),6-tetraen-17-one-13C4[+H]+"
	"3'-N-Debenzoyl-2'-deoxytaxol-13C0[+QDA adduct+Na]+"
	"3'-N-Debenzoyltaxol-13C0[+13CD3 QDA]+"
	"3'-N-Debenzoyltaxol-13C0[+QDA adduct+Na]+"
	"(3S,2'S)-4-Ketomyxol 2'-alpha-fucoside-13C0[+H]+"
	"4-(2-Aminophenyl)-2,4-dioxobutanoate-13C0[+H]+"
	"4-(2-Aminophenyl)-2,4-dioxobutanoate-13C0[+Na]+"
	"4-(2-Aminophenyl)-2,4-dioxobutanoate-13C0[+QDA adduct]+"
	"4-(2-Aminophenyl)-2,4-dioxobutanoate-13C1[+H]+"
	"4-(2-Aminophenyl)-2,4-dioxobutanoate-13C4[+H]+"
	"4-(2-Aminophenyl)-2,4-dioxobutanoate-13C6[+H]+"
	"4-(2-Aminophenyl)-2,4-dioxobutanoate-13C8[+H]+"
	"4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone-13C0[+Na]+"
	"4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone-13C0[+QDA adduct+Na]+"
	"4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one-13C0[+13CD3 QDA]+"
	"4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one-13C0[+H]+"
	"4,4-Difluoropregn-5-ene-3,20-dione-13C0[+H]+"
	"4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol-13C0[+Na]+"
	"4',5,6,7-Tetramethoxyflavone-13C0[+Na]+"
	"4,5-seco-Dopa-13C0[+H]+"
	"4,6-Dideoxy-4-oxo-dTDP-GLC-13C0[+H]+"
	"4,6-Dideoxy-4-oxo-dTDP-GLC-13C0[+QDA adduct]+"
	"4a-Methyl-5a-cholesta-8,24-dien-3-one-13C0[+H]+"
	"4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone-13C0[+QDA adduct]+"
	"4-Bromo-3,5-cyclohexadiene-1,2-dione-13C0[+Na]+"
	"4-Bromo-3,5-cyclohexadiene-1,2-dione-13C0[+QDA adduct+Na]+"
	"4-Methyl-4-aza-5-pregnene-3,20-dione-13C0[+H]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C0[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C0[+H]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C0[+Na]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C0[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C10[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C11[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C1[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C13[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C14[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C1[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C2[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C2[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C8[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C8[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C9[+13CD3 QDA]+"
	"5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate-13C0[+H]+"
	"5a,11a-Dehydrochlortetracycline-13C0[+H]+"
	"5a,11a-Dehydrochlortetracycline-13C0[+Na]+"
	"5a,11a-Dehydrochlortetracycline-13C1[+Na]+"
	"5a,11a-Dehydrochlortetracycline-13C8[+Na]+"
	"5a,11a-Dehydrooxytetracycline-13C0[+Na]+"
	"5a,11a-Dehydrooxytetracycline-13C0[+QDA adduct]+"
	"5a,11a-Dehydrooxytetracycline-13C14[+QDA adduct]+"
	"5a,11a-Dehydrooxytetracycline-13C15[+QDA adduct]+"
	"5a,11a-Dehydrooxytetracycline-13C17[+QDA adduct]+"
	"5a,11a-Dehydrooxytetracycline-13C1[+QDA adduct]+"
	"6-(3,3-DMA)chrysin-13C0[+H]+"
	"6-(3,3-DMA)galangin-13C0[+QDA adduct]+"
	"6-(3,3-DMA)galangin-13C0[+QDA adduct+Na]+"
	"6,6'-Dibromoindigotin-13C0[+13CD3 QDA]+"
	"6,6'-Dibromoindigotin-13C1[+13CD3 QDA]+"
	"6,6'-Dibromoindigotin-13C8[+13CD3 QDA]+"
	"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone-13C0[+Na]+"
	"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone-13C0[+H]+"
	"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone-13C0[+Na]+"
	"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone-13C1[+H]+"
	"6,8-Diprenylnaringenin-13C0[+QDA adduct]+"
	"6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione-13C0[+H]+"
	"6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C-13C0[+Na]+"
	"6-Imino-5-oxocyclohexa-1,3-dienecarboxylate-13C0[+13CD3 QDA]+"
	"7alpha-Methyl-4-pregnene-3,20-dione-13C0[+Na]+"
	"7alpha-Methyl-4-pregnene-3,20-dione-13C0[+QDA adduct]+"
	"7alpha-Methyl-4-pregnene-3,20-dione-13C17[+Na]+"
	"7alpha-Methyl-4-pregnene-3,20-dione-13C1[+Na]+"
	"7-Hydroxy-6-methylhepta-3,5-dienal-13C0[+Na]+"
	"7-Hydroxy-6-methylhepta-3,5-dienal-13C0[+QDA adduct]+"
	"7-Hydroxy-6-methylhepta-3,5-dienal-13C1[+QDA adduct]+"
	"7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate-13C0[+H]+"
	"7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate-13C0[+QDA adduct]+"
	"8,8a-Deoxyoleandolide-13C0[+H]+"
	"8,8a-Deoxyoleandolide-13C0[+Na]+"
	"9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione-13C0[+Na]+"
	"9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione-13C14[+Na]+"
	"9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione-13C1[+Na]+"
	"9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione-13C9[+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C0[+13CD3 QDA]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C0[+QDA adduct]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C0[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C1[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C4[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C9[+QDA adduct+Na]+"
	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione-13C0[+13CD3 QDA]+"
	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione-13C0[+Na]+"
	"9-Chloro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate-13C0[+QDA adduct+Na]+"
	"9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one-13C0[+13CD3 QDA]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C0[+13CD3 QDA]+"
	"9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione-13C0[+Na]+"
	"9-Thiocyanato-androst-4-ene-3,11,17-trione-13C0[+13CD3 QDA]+"
	"9-Thiocyanato-androst-4-ene-3,11,17-trione-13C0[+QDA adduct+Na]+"
	"Alkannin beta,beta-dimethylacrylate-13C0[+QDA adduct]+"
	"Baicalein 5,6,7-trimethyl ether-13C0[+Na]+"
	"CDP-4-dehydro-3,6-dideoxy-glucose-13C0[+13CD3 QDA]+"
	"Cholesta-4,6-dien-3-one-13C0[+13CD3 QDA]+"
	"Cholesta-4,6-dien-3-one-13C0[+QDA adduct]+"
	"Cholesta-4,6-dien-3-one-13C1[+13CD3 QDA]+"
	"Cyanidin 3-O-3'',6''-O-dimalonylglucoside-13C0[+13CD3 QDA]+"
	"Cyanidin 3-O-3'',6''-O-dimalonylglucoside-13C0[+H]+"
	"Cyanidin 3-O-3'',6''-O-dimalonylglucoside-13C0[+QDA adduct]+"
	"DAHP, 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C0[+H]+"
	"DAHP, 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C0[+Na]+"
	"Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside-13C0[+Na]+"
	"Dibenzo[1,4]dioxin-2,3-dione-13C0[+Na]+"
	"dTDP-2,6-dideoxy-glycero-hex-2-enos-4-ulose-13C0[+H]+"
	"dTDP-2,6-dideoxy-glycero-hex-2-enos-4-ulose-13C0[+QDA adduct]+"
	"dTDP-2,6-dideoxy-glycero-hex-2-enos-4-ulose-13C1[+H]+"
	"dTDP-2,6-dideoxy-glycero-hex-2-enos-4-ulose-13C4[+H]+"
	"dTDP-3-amino-2,3,6-trideoxy-C-methyl-erythro-hexopyranos-4-ulose-13C0[+13CD3 QDA]+"
	"dTDP-4-oxo-2,3,6-trideoxy-GLC-13C0[+H]+"
	"dTDP-4-oxo-2,3,6-trideoxy-GLC-13C1[+H]+"
	"dTDP-4-oxo-2,6-dideoxy-GLC-13C0[+H]+"
	"Hentriacontane-14,16-dione-13C0[+QDA adduct]+"
	"Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione-13C0[+Na]+"
	"Indole-5,6-quinone-13C0[+13CD3 QDA]+"
	"Indole-5,6-quinone-13C0[+QDA adduct]+"
	"Indole-5,6-quinone-13C0[+QDA adduct+Na]+"
	"Indole-5,6-quinone-13C1[+13CD3 QDA]+"
	"Indole-5,6-quinone-13C1[+QDA adduct]+"
	"Indole-5,6-quinone-13C3[+13CD3 QDA]+"
	"Indole-5,6-quinone-13C5[+13CD3 QDA]+"
	"Indole-5,6-quinone-13C6[+13CD3 QDA]+"
	"Indole-5,6-quinone-13C8[+13CD3 QDA]+"
	"Ingenol 3,20-dibenzoate-13C0[+H]+"
	"Ingenol 3,20-dibenzoate-13C0[+Na]+"
	"Ingenol 3,20-dibenzoate-13C0[+QDA adduct+Na]+"
	"Luteolin 7-O-(6''-malonylglucoside)-13C0[+13CD3 QDA]+"
	"Luteolin7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide-13C0[+QDA adduct+Na]+"
	"N'-Formylkynurenine-13C0[+Na]+"
	"Oxoavermectin ''2a'' aglycone-13C0[+Na]+"
	"Oxoavermectin ''2b'' aglycone-13C0[+QDA adduct]+"
	"Premithramycin A2'-13C0[+13CD3 QDA]+"
	"Premithramycin A3'-13C0[+H]+"
	"Pyrene-1,6-dione-13C0[+H]+"
	"Sedoheptulose 1,7-bisphosphate-13C0[+Na]+"
	"Sedoheptulose 1,7-bisphosphate-13C0[+QDA adduct]+"
	"Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'-methyl-2'-(methylthio)-3,4'-dione-13C0[+13CD3 QDA]+"
	"Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'-methyl-2'-(methylthio)-3,4'-dione-13C0[+QDA adduct]+"
Warning: The "ri" column at position 3 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "retention_index". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name.
Warning: The "ri_type" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "retention_index_type". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name.
Warning: The column pair, "other_id" and "other_id_type", in the METABOLITES table should have data in the same rows, but at least one row has data in one column and nothing in the other.
Warning: The standard column, "other_id", was found in the METABOLITES table as "other_id". If this column contains database IDs for standard databases such as KEGG, PubChem, HMDB, etc., it is recommended to make individual columns for these and not lump them together into a less descriptive "other_id" column.
Warning: The "ri" column at position 3 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values.
Warning: The "ri_type" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values.
Warning: The "pubchem_id" column at position 5 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values.
Warning: The "inchi_key" column at position 6 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values.
Warning: The "kegg_id" column at position 7 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values.
Warning: The "other_id" column at position 8 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values.