Validation Log
2025-12-14 21:10:16.333106
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000235/mwtab/json
Study ID:      ST000148
Analysis ID:   AN000235
File format:   json
Status: Contains Validation Issues
Number of Issues: 23

Number of Warnings: 10

Number of Value Errors: 14

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 ["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[+QDA adduct+Na]+"
	"11beta_17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C1[+QDA adduct+Na]+"
	"11beta_17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C8[+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-13C16[+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3_20-dione-13C1[+Na]+"
	"11beta_20-Dihydroxy-3-oxopregn-4-en-21-oic acid-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-13C1[+13CD3 QDA]+"
	"12-(2_3-Dihydroxycyclopentyl)-2-dodecanone-13C1[+QDA adduct]+"
	"12-(2_3-Dihydroxycyclopentyl)-2-dodecanone-13C3[+QDA adduct]+"
	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3_20-dione-13C0[+QDA adduct]+"
	"12alpha-Fluoro-11beta_17beta-dihydroxyandrosta-1_4-dien-3-one-13C0[+QDA adduct]+"
	"1_2-dihydroxy-3-keto-5-methylthiopentene-13C0[+Na]+"
	"1_2-dihydroxy-3-keto-5-methylthiopentene-13C0[+QDA adduct]+NH4"
	"1_2-Dihydroxy-5-(methylthio)pent-1-en-3-one-13C0[+QDA adduct]+"
	"1-(2-Hydroxy-3_4_5_6-tetramethoxyphenyl)-3-(2_3_4_6-tetramethoxyphenyl)-2-propen-1-one-13C0[+QDA adduct]+"
	"13_14-Dihydro PGE1-13C0[+H]+"
	"13_14-Dihydro PGE1-13C0[+Na]+"
	"13_14-Dihydro PGE1-13C0[+QDA adduct]+"
	"13_14-Dihydro PGE1-13C12[+QDA adduct]+"
	"13_14-Dihydro PGE1-13C1[+QDA adduct]+"
	"1-(3_4-Dihydroxyphenyl)-5-hydroxy-3-decanone-13C0[+QDA adduct]+"
	"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-13C1[+QDA adduct]+"
	"15-hydroxynorandrostene-3_17-dione glucuronide-13C0[+QDA adduct]+"
	"15-hydroxynorandrostene-3_17-dione glucuronide-13C0[+QDA adduct+Na]+"
	"16alpha_17alpha-Dihydroxyprogesterone acetophenide-13C0[+QDA adduct]+"
	"16alpha-Fluoroandrost-4-ene-3_17-dione-13C0[+QDA adduct]+"
	"17_21-Dihydroxypregn-4-ene-3_11_20-trione 21-(hydrogensuccinate)-13C0[+13CD3 QDA]+"
	"17_21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3_20-dione-13C0[+QDA adduct+Na]+"
	"17beta-Hydroxy-4_4_17-trimethylandrost-5-en-3-one-13C0[+QDA adduct+Na]+"
	"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]+"
	"19-Oxoandrost-4-ene-3_17-dione-13C0[+Na]+"
	"1alpha_5alpha-Epidithio-17a-oxa-homoandrostan-3_17-dione-13C0[+13CD3 QDA]+"
	"1alpha_5alpha-Epidithio-17a-oxa-homoandrostan-3_17-dione-13C0[+QDA adduct]+"
	"(1R_2R)-3-[(1_2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+QDA adduct]+"
	"(1R_6R)-6-Hydroxy-2-succinylcyclohexa-2_4-diene-1-carboxylate-13C0[+13CD3 QDA]+"
	"21-Acetoxy-11beta_17-dihydroxy-6alpha-methylpregn-4-ene-3_20-dione-13C0[+QDA adduct+Na]+"
	"21-Fluoro-11beta_17-dihydroxy-6alpha-methylpregna-1_4-diene-3_20-dione-13C0[+Na]+"
	"21-Fluoro-11beta_17-dihydroxy-6alpha-methylpregna-1_4-diene-3_20-dione-13C1[+Na]+"
	"21-Fluoro-11beta_17-dihydroxy-6alpha-methylpregna-1_4-diene-3_20-dione-13C7[+Na]+"
	"2_3^_4_6-Tetrahydroxybenzophenone-13C0[+13CD3 QDA]+"
	"2^_4_4^_6^-Tetrahydroxychalcone 4^-O-glucoside-13C0[+QDA adduct+Na]+"
	"2_5-Diamino-6-(5^-triphosphoryl-3^_4^-trihydroxy-2^-oxopentyl)-amino-4-oxopyrimidine-13C0[+QDA adduct]+"
	"2_6-Dihydroxypseudooxynicotine-13C0[+13CD3 QDA]+"
	"2_6-Dihydroxypseudooxynicotine-13C0[+QDA adduct+Na]+"
	"2_6-Dihydroxypseudooxynicotine-13C10[+QDA adduct+Na]+"
	"2_6-Dihydroxypseudooxynicotine-13C1[+13CD3 QDA]+"
	"2_6-Dihydroxypseudooxynicotine-13C1[+QDA adduct+Na]+"
	"2_6-Dihydroxypseudooxynicotine-13C4[+13CD3 QDA]+"
	"2^_7-Dihydroxy-4^_5^-methylenedioxyisoflavone-13C0[+Na]+"
	"2^_7-Dihydroxy-4^_5^-methylenedioxyisoflavone-13C0[+QDA adduct]+"
	"2^_7-Dihydroxy-4^_5^-methylenedioxyisoflavone-13C0[+QDA adduct+Na]+"
	"2-Acetyl-6-(3-acetyl-2_4_6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2_4-cyclohexadien-1-one-13C0[+QDA adduct]+"
	"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-13C0[+QDA adduct+Na]+"
	"2-Decaprenyl-3-methyl-6-methoxy-1_4-benzoquinone-13C0[+H]+"
	"2-Hexaprenyl-3-methyl-6-methoxy-1_4 benzoquinone-13C0[+QDA adduct+Na]+"
	"2-Hexaprenyl-3-methyl-6-methoxy-1_4 benzoquinone-13C13[+QDA adduct+Na]+"
	"2-Hexaprenyl-3-methyl-6-methoxy-1_4 benzoquinone-13C1[+QDA adduct+Na]+"
	"2-Hydroxy-5-methyl-cis_cis-muconic semialdehyde-13C0[+13CD3 QDA]+NH4"
	"2-Hydroxy-5-methyl-cis_cis-muconic semialdehyde-13C0[+QDA adduct]+"
	"2-Hydroxy-6-oxo-(2^-aminophenyl)-hexa-2_4-dienoate-13C0[+Na]+"
	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2_4-dienoate-13C0[+QDA adduct+Na]+"
	"2-Hydroxy-6-oxo-octa-2_4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxo-octa-2_4-dienoate-13C0[+QDA adduct]+"
	"2-Hydroxy-6-oxo-octa-2_4-dienoate-13C0[+QDA adduct]+NH4"
	"2^-O-Methylisoliquiritigenin-13C0[+13CD3 QDA]+"
	"3_17beta-Diacetoxyestra-1_3_5(10)-trien-6-one-13C0[+QDA adduct+Na]+"
	"3_17beta-Diacetoxyestra-1_3_5(10)-trien-6-one-13C11[+QDA adduct+Na]+"
	"3_17beta-Diacetoxyestra-1_3_5(10)-trien-6-one-13C1[+QDA adduct+Na]+"
	"3-(2-Propenyloxy)estra-1_3_5(10)-triene-16_17-dione 16-oxime-13C0[+QDA adduct+Na]+"
	"3_4-Dihydroxy-2-butanone 4-phosphate-13C0[+QDA adduct]+"
	"3_4-Dihydroxymandelaldehyde-13C0[+13CD3 QDA]+"
	"3_4-Dihydroxymandelaldehyde-13C0[+QDA adduct]+"
	"3_4-Dihydroxymandelaldehyde-13C0[+QDA adduct+Na]+"
	"3_4-Dihydroxymandelaldehyde-13C0[+QDA adduct]+NH4"
	"3_4-Dihydroxyphenylacetaldehyde-13C0[+13CD3 QDA]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C0[+QDA adduct]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C0[+QDA adduct]+NH4"
	"3_4-Dihydroxyphenylacetaldehyde-13C1[+13CD3 QDA]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C1[+QDA adduct]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C2[+QDA adduct]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C8[+13CD3 QDA]+"
	"3_4-Dihydroxyphenylacetaldehyde-13C8[+QDA adduct]+"
	"3_5-Dinitro-4-hydroxyphenylpyruvate-13C0[+QDA adduct+Na]+"
	"3_5-Dinitro-4-hydroxyphenylpyruvate-13C1[+QDA adduct+Na]+"
	"3_6-Anhydroglucose-13C0[+QDA adduct]+"
	"3_6-Anhydroglucose-13C0[+QDA adduct]+NH4"
	"3_6-Dimethoxy-19-norpregna-1_3_5_7_9-pentaen-20-one-13C0[+13CD3 QDA]+"
	"3_7-Dihydroxy-12-oxocholanoate-13C0[+Na]+"
	"3_7-Dihydroxy-12-oxocholanoate-13C0[+QDA adduct+Na]+"
	"3_7-Dihydroxy-12-oxocholanoate-13C18[+Na]+"
	"3_7-Dihydroxy-12-oxocholanoate-13C1[+Na]+"
	"3a_7a_12a-Trihydroxy-5b-cholestan-26-al-13C0[+QDA adduct+Na]+"
	"3a_7a-Dihydroxy-5b-cholestan-26-al-13C0[+QDA adduct]+"
	"3a_7a-Dihydroxy-5b-cholestan-26-al-13C1[+QDA adduct]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3_5-diene-11_17-dione-13C0[+13CD3 QDA]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3_5-diene-11_17-dione-13C0[+Na]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3_5-diene-11_17-dione-13C1[+13CD3 QDA]+"
	"3alpha_12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C0[+Na]+"
	"3alpha_21-Dihydroxy-homo-5beta-pregn-17a(20)-en-11-one-13C0[+Na]+"
	"3alpha_21-Dihydroxy-homo-5beta-pregn-17a(20)-en-11-one-13C0[+QDA adduct+Na]+"
	"3-Amino-2_3-dideoxy-scyllo-inosose-13C0[+13CD3 QDA]+"
	"3-Amino-2_3-dideoxy-scyllo-inosose-13C0[+H]+"
	"3-Amino-2_3-dideoxy-scyllo-inosose-13C0[+QDA adduct]+"
	"3beta_21-Dihydroxy-4_4_14-trimethyl-5alpha-pregn-8-en-20-one-13C0[+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[+Na]+"
	"3-Hydroxy-2-(4-morpholinylmethyl)estra-1_3_5(10)-trien-17-one-13C0[+QDA adduct]+"
	"3^-Keto-3^-deoxy-ATP-13C0[+QDA adduct+Na]+"
	"3^-Keto-3^-deoxy-ATP-13C1[+QDA adduct+Na]+"
	"3^-Keto-3^-deoxy-ATP-13C3[+QDA adduct+Na]+"
	"3^-Keto-3^-deoxy-ATP-13C5[+QDA adduct+Na]+"
	"3-Methoxyestra-1_3_5(10)-triene-16_17-dione 16-oxime-13C0[+QDA adduct+Na]+"
	"3-Methoxy-homoestra-1_3_5(10)_8-tetraen-17a-one-13C0[+Na]+"
	"3-Methoxy-homoestra-1_3_5(10)_8-tetraen-17a-one-13C0[+QDA adduct+Na]+"
	"(3S_2^S)-4-Ketomyxol 2^-alpha-fucoside-13C0[+QDA adduct]+"
	"3^-Sialyl-3-fucosyllactose-13C0[+H]+"
	"4-(2-Amino-3-hydroxyphenyl)-2_4-dioxobutanoate-13C0[+13CD3 QDA]+"
	"4-(2-Amino-3-hydroxyphenyl)-2_4-dioxobutanoate-13C0[+QDA adduct]+"
	"4-(2-Amino-3-hydroxyphenyl)-2_4-dioxobutanoate-13C1[+13CD3 QDA]+"
	"4-(2-Amino-3-hydroxyphenyl)-2_4-dioxobutanoate-13C1[+QDA adduct]+"
	"4-(2-Amino-3-hydroxyphenyl)-2_4-dioxobutanoate-13C2[+QDA adduct]+"
	"4-(2-Amino-3-hydroxyphenyl)-2_4-dioxobutanoate-13C6[+13CD3 QDA]+"
	"4-(2-Amino-3-hydroxyphenyl)-2_4-dioxobutanoate-13C7[+13CD3 QDA]+"
	"4-(2-Aminophenyl)-2_4-dioxobutanoate-13C0[+H]+"
	"4_4a_5_6_7_8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone-13C0[+Na]+"
	"4_4-Bis[4-(acetyloxy)phenyl]3-hexanone-13C0[+QDA adduct]+"
	"4_4^-Dihydroxybenzophenone-13C0[+QDA adduct+Na]+"
	"4_4-dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol-13C0[+QDA adduct+Na]+"
	"4_4-Disubstituted cyclohexenone-13C0[+QDA adduct+Na]+"
	"4^_5_6_7-Tetramethoxyflavone-13C0[+QDA adduct]+"
	"4_5-seco-Dopa-13C0[+H]+"
	"4alpha-formyl-4beta-methyl-5alpha-cholesta-8_24-dien-3beta-ol-13C0[+QDA adduct+Na]+"
	"4-Benzyloxy-2^-hydroxy-3^_4^_5^_6^-tetramethoxychalcone-13C0[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C0[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C0[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C0[+QDA adduct+Na]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C1[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde_ Octylbenzoate_ Polygodial-13C1[+QDA adduct]+"
	"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[+QDA adduct]+"
	"5-(3^-Carboxy-3^-oxopropenyl)-4_6-dihydroxypicolinate-13C0[+H]+"
	"5-(3^-Carboxy-3^-oxopropenyl)-4_6-dihydroxypicolinate-13C10[+H]+"
	"5-(3^-Carboxy-3^-oxopropenyl)-4_6-dihydroxypicolinate-13C1[+H]+"
	"5_6-Indolequinone-2-carboxylic acid-13C0[+H]+"
	"5_6-Indolequinone-2-carboxylic acid-13C0[+QDA adduct]+"
	"5_6-Indolequinone-2-carboxylic acid-13C1[+H]+"
	"5_7-Dimethoxyflavone-13C0[+H]+"
	"5_7-Dimethoxyflavone-13C0[+Na]+"
	"5_7-Dimethoxyflavone-13C0[+QDA adduct+Na]+"
	"5a_11a-Dehydrochlortetracycline-13C0[+QDA adduct+Na]+"
	"5a_11a-Dehydrochlortetracycline-13C12[+QDA adduct+Na]+"
	"5a_11a-Dehydrochlortetracycline-13C1[+QDA adduct+Na]+"
	"5a_11a-Dehydrooxytetracycline-13C0[+Na]+"
	"5a_11a-Dehydrooxytetracycline-13C0[+QDA adduct]+"
	"5a_11a-Dehydrooxytetracycline-13C1[+Na]+"
	"6-(2-Amino-2-carboxyethyl)-7_8-dioxo-1_2_3_4_7_8-hexahydroquinoline-2_4-dicarboxylate-13C0[+H]+"
	"6-(2-Amino-2-carboxyethyl)-7_8-dioxo-1_2_3_4_7_8-hexahydroquinoline-2_4-dicarboxylate-13C12[+H]+"
	"6-(2-Amino-2-carboxyethyl)-7_8-dioxo-1_2_3_4_7_8-hexahydroquinoline-2_4-dicarboxylate-13C1[+H]+"
	"6_6^-Dibromoindigotin-13C0[+13CD3 QDA]+"
	"6_6^-Dibromoindigotin-13C1[+13CD3 QDA]+"
	"6_6^-Dibromoindigotin-13C13[+13CD3 QDA]+"
	"6_8a-Seco-6_8a-deoxy-5-oxoavermectin ^^1a^^ aglycone-13C0[+Na]+"
	"6_8a-Seco-6_8a-deoxy-5-oxoavermectin ^^1a^^ aglycone-13C0[+QDA adduct]+"
	"6alpha_9-Difluoro-11beta-hydroxypregn-4-ene-3_20-dione-13C0[+H]+"
	"6alpha-Fluoropregn-4-ene-3_11_20-trione-13C0[+QDA adduct+Na]+"
	"6beta_17beta-Dihydroxyandrost-4-en-3-one diacetate-13C0[+Na]+"
	"7a_12a-Dihydroxy-3-oxo-4-cholenoate-13C0[+QDA adduct+Na]+"
	"7alpha-Methyl-4-pregnene-3_20-dione-13C0[+Na]+"
	"7-Hydroxy-6-methylhepta-3_5-dienal-13C0[+13CD3 QDA]+"
	"7-Hydroxy-6-methylhepta-3_5-dienal-13C0[+13CD3 QDA]+NH4"
	"7-Hydroxy-6-methylhepta-3_5-dienal-13C0[+QDA adduct]+"
	"7-Methyl-2-hydroxy-6-oxoocta-2_4-dienoate-13C0[+QDA adduct]+"
	"8_8a-Deoxyoleandolide-13C0[+Na]+"
	"8_8a-Deoxyoleandolide-13C0[+QDA adduct+Na]+"
	"9_10-Phenanthroquinone-13C0[+H]+"
	"9alpha-Fluoro-11beta_16alpha_17alpha_21-tetrahydroxypregn-4-ene-3_20-dione-13C0[+13CD3 QDA]+"
	"9alpha-Fluoro-11beta_16alpha_17alpha_21-tetrahydroxypregn-4-ene-3_20-dione-13C0[+H]+"
	"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-13C0[+QDA adduct]+"
	"9alpha-Fluoro-11beta_16alpha_17alpha_21-tetrahydroxypregn-4-ene-3_20-dione-13C1[+13CD3 QDA]+"
	"9alpha-Fluoro-11beta_16alpha_17alpha_21-tetrahydroxypregn-4-ene-3_20-dione-13C13[+QDA adduct]+"
	"9alpha-Fluoro-11beta_16alpha_17alpha_21-tetrahydroxypregn-4-ene-3_20-dione-13C14[+QDA adduct]+"
	"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-13C1[+QDA adduct]+"
	"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+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-13C20[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C6[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C8[+QDA adduct+Na]+"
	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3_11-dione-13C0[+13CD3 QDA]+"
	"9-Chloro-11beta_17beta-dihydroxy-17-methylandrost-4-en-3-one-13C0[+H]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1_4-diene-3_17-dione-13C0[+Na]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C0[+H]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C0[+QDA adduct]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3_20-dione-13C0[+QDA adduct+Na]+"
	"Baicalein 5_6_7-trimethyl ether-13C0[+QDA adduct+Na]+"
	"CDP-4-dehydro-3_6-dideoxy-glucose-13C0[+QDA adduct]+"
	"Cholesta-4_6-dien-3-one-13C0[+QDA adduct+Na]+"
	"DAHP_ 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C0[+QDA adduct+Na]+"
	"DAHP_ 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C1[+QDA adduct+Na]+"
	"DAHP_ 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C3[+QDA adduct+Na]+"
	"DAHP_ 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C7[+QDA adduct+Na]+"
	"Delphinidin 3-O-(6^^-O-malonyl)-beta-glucoside-3^-O-beta-glucoside-13C0[+Na]+"
	"dTDP-2_6-dideoxy-glycero-hex-2-enos-4-ulose-13C0[+13CD3 QDA]+"
	"dTDP-4-oxo-2_6-dideoxy-GLC-13C0[+QDA adduct]+"
	"E_e-Carotene-3_3^-dione-13C0[+QDA adduct+Na]+"
	"Hentriacontane-14_16-dione-13C0[+QDA adduct]+"
	"Indole-5_6-quinone-13C0[+Na]+"
	"Indole-5_6-quinone-13C1[+Na]+"
	"Indole-5_6-quinone-13C6[+Na]+"
	"Ingenol 3_20-dibenzoate-13C0[+QDA adduct+Na]+"
	"N^-Formylkynurenine-13C0[+H]+"
	"Oxoavermectin ^^1b^^ aglycone-13C0[+Na]+"
	"Oxoavermectin ^^2a^^ aglycone-13C0[+Na]+"
	"Oxoavermectin ^^2b^^ aglycone-13C0[+QDA adduct]+"
	"Phorbol 12_13-dibutanoate-13C0[+QDA adduct+Na]+"
	"Premithramycin A3^-13C0[+H]+"
	"Pyrene-1_6-dione-13C0[+13CD3 QDA]+"
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[+QDA adduct+Na]+"
	"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C1[+QDA adduct+Na]+"
	"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C8[+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-13C16[+Na]+"
	"11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione-13C1[+Na]+"
	"11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid-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-13C1[+13CD3 QDA]+"
	"12-(2,3-Dihydroxycyclopentyl)-2-dodecanone-13C1[+QDA adduct]+"
	"12-(2,3-Dihydroxycyclopentyl)-2-dodecanone-13C3[+QDA adduct]+"
	"12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione-13C0[+QDA adduct]+"
	"12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one-13C0[+QDA adduct]+"
	"1,2-dihydroxy-3-keto-5-methylthiopentene-13C0[+Na]+"
	"1,2-dihydroxy-3-keto-5-methylthiopentene-13C0[+QDA adduct]+NH4"
	"1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one-13C0[+QDA adduct]+"
	"1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one-13C0[+QDA adduct]+"
	"13,14-Dihydro PGE1-13C0[+H]+"
	"13,14-Dihydro PGE1-13C0[+Na]+"
	"13,14-Dihydro PGE1-13C0[+QDA adduct]+"
	"13,14-Dihydro PGE1-13C12[+QDA adduct]+"
	"13,14-Dihydro PGE1-13C1[+QDA adduct]+"
	"1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone-13C0[+QDA adduct]+"
	"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-13C1[+QDA adduct]+"
	"15-hydroxynorandrostene-3,17-dione glucuronide-13C0[+QDA adduct]+"
	"15-hydroxynorandrostene-3,17-dione glucuronide-13C0[+QDA adduct+Na]+"
	"16alpha,17alpha-Dihydroxyprogesterone acetophenide-13C0[+QDA adduct]+"
	"16alpha-Fluoroandrost-4-ene-3,17-dione-13C0[+QDA adduct]+"
	"17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)-13C0[+13CD3 QDA]+"
	"17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione-13C0[+QDA adduct+Na]+"
	"17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one-13C0[+QDA adduct+Na]+"
	"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]+"
	"19-Oxoandrost-4-ene-3,17-dione-13C0[+Na]+"
	"1alpha,5alpha-Epidithio-17a-oxa-homoandrostan-3,17-dione-13C0[+13CD3 QDA]+"
	"1alpha,5alpha-Epidithio-17a-oxa-homoandrostan-3,17-dione-13C0[+QDA adduct]+"
	"(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoate-13C0[+QDA adduct]+"
	"(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate-13C0[+13CD3 QDA]+"
	"21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione-13C0[+QDA adduct+Na]+"
	"21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione-13C0[+Na]+"
	"21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione-13C1[+Na]+"
	"21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione-13C7[+Na]+"
	"2,3',4,6-Tetrahydroxybenzophenone-13C0[+13CD3 QDA]+"
	"2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside-13C0[+QDA adduct+Na]+"
	"2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine-13C0[+QDA adduct]+"
	"2,6-Dihydroxypseudooxynicotine-13C0[+13CD3 QDA]+"
	"2,6-Dihydroxypseudooxynicotine-13C0[+QDA adduct+Na]+"
	"2,6-Dihydroxypseudooxynicotine-13C10[+QDA adduct+Na]+"
	"2,6-Dihydroxypseudooxynicotine-13C1[+13CD3 QDA]+"
	"2,6-Dihydroxypseudooxynicotine-13C1[+QDA adduct+Na]+"
	"2,6-Dihydroxypseudooxynicotine-13C4[+13CD3 QDA]+"
	"2',7-Dihydroxy-4',5'-methylenedioxyisoflavone-13C0[+Na]+"
	"2',7-Dihydroxy-4',5'-methylenedioxyisoflavone-13C0[+QDA adduct]+"
	"2',7-Dihydroxy-4',5'-methylenedioxyisoflavone-13C0[+QDA adduct+Na]+"
	"2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one-13C0[+QDA adduct]+"
	"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-13C0[+QDA adduct+Na]+"
	"2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone-13C0[+H]+"
	"2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone-13C0[+QDA adduct+Na]+"
	"2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone-13C13[+QDA adduct+Na]+"
	"2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone-13C1[+QDA adduct+Na]+"
	"2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde-13C0[+13CD3 QDA]+NH4"
	"2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde-13C0[+QDA adduct]+"
	"2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate-13C0[+Na]+"
	"2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate-13C0[+QDA adduct+Na]+"
	"2-Hydroxy-6-oxo-octa-2,4-dienoate-13C0[+H]+"
	"2-Hydroxy-6-oxo-octa-2,4-dienoate-13C0[+QDA adduct]+"
	"2-Hydroxy-6-oxo-octa-2,4-dienoate-13C0[+QDA adduct]+NH4"
	"2'-O-Methylisoliquiritigenin-13C0[+13CD3 QDA]+"
	"3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one-13C0[+QDA adduct+Na]+"
	"3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one-13C11[+QDA adduct+Na]+"
	"3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one-13C1[+QDA adduct+Na]+"
	"3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime-13C0[+QDA adduct+Na]+"
	"3,4-Dihydroxy-2-butanone 4-phosphate-13C0[+QDA adduct]+"
	"3,4-Dihydroxymandelaldehyde-13C0[+13CD3 QDA]+"
	"3,4-Dihydroxymandelaldehyde-13C0[+QDA adduct]+"
	"3,4-Dihydroxymandelaldehyde-13C0[+QDA adduct+Na]+"
	"3,4-Dihydroxymandelaldehyde-13C0[+QDA adduct]+NH4"
	"3,4-Dihydroxyphenylacetaldehyde-13C0[+13CD3 QDA]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C0[+QDA adduct]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C0[+QDA adduct]+NH4"
	"3,4-Dihydroxyphenylacetaldehyde-13C1[+13CD3 QDA]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C1[+QDA adduct]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C2[+QDA adduct]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C8[+13CD3 QDA]+"
	"3,4-Dihydroxyphenylacetaldehyde-13C8[+QDA adduct]+"
	"3,5-Dinitro-4-hydroxyphenylpyruvate-13C0[+QDA adduct+Na]+"
	"3,5-Dinitro-4-hydroxyphenylpyruvate-13C1[+QDA adduct+Na]+"
	"3,6-Anhydroglucose-13C0[+QDA adduct]+"
	"3,6-Anhydroglucose-13C0[+QDA adduct]+NH4"
	"3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one-13C0[+13CD3 QDA]+"
	"3,7-Dihydroxy-12-oxocholanoate-13C0[+Na]+"
	"3,7-Dihydroxy-12-oxocholanoate-13C0[+QDA adduct+Na]+"
	"3,7-Dihydroxy-12-oxocholanoate-13C18[+Na]+"
	"3,7-Dihydroxy-12-oxocholanoate-13C1[+Na]+"
	"3a,7a,12a-Trihydroxy-5b-cholestan-26-al-13C0[+QDA adduct+Na]+"
	"3a,7a-Dihydroxy-5b-cholestan-26-al-13C0[+QDA adduct]+"
	"3a,7a-Dihydroxy-5b-cholestan-26-al-13C1[+QDA adduct]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione-13C0[+13CD3 QDA]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione-13C0[+Na]+"
	"3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione-13C1[+13CD3 QDA]+"
	"3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate-13C0[+Na]+"
	"3alpha,21-Dihydroxy-homo-5beta-pregn-17a(20)-en-11-one-13C0[+Na]+"
	"3alpha,21-Dihydroxy-homo-5beta-pregn-17a(20)-en-11-one-13C0[+QDA adduct+Na]+"
	"3-Amino-2,3-dideoxy-scyllo-inosose-13C0[+13CD3 QDA]+"
	"3-Amino-2,3-dideoxy-scyllo-inosose-13C0[+H]+"
	"3-Amino-2,3-dideoxy-scyllo-inosose-13C0[+QDA adduct]+"
	"3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one-13C0[+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[+Na]+"
	"3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one-13C0[+QDA adduct]+"
	"3'-Keto-3'-deoxy-ATP-13C0[+QDA adduct+Na]+"
	"3'-Keto-3'-deoxy-ATP-13C1[+QDA adduct+Na]+"
	"3'-Keto-3'-deoxy-ATP-13C3[+QDA adduct+Na]+"
	"3'-Keto-3'-deoxy-ATP-13C5[+QDA adduct+Na]+"
	"3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime-13C0[+QDA adduct+Na]+"
	"3-Methoxy-homoestra-1,3,5(10),8-tetraen-17a-one-13C0[+Na]+"
	"3-Methoxy-homoestra-1,3,5(10),8-tetraen-17a-one-13C0[+QDA adduct+Na]+"
	"(3S,2'S)-4-Ketomyxol 2'-alpha-fucoside-13C0[+QDA adduct]+"
	"3'-Sialyl-3-fucosyllactose-13C0[+H]+"
	"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate-13C0[+13CD3 QDA]+"
	"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate-13C0[+QDA adduct]+"
	"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate-13C1[+13CD3 QDA]+"
	"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate-13C1[+QDA adduct]+"
	"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate-13C2[+QDA adduct]+"
	"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate-13C6[+13CD3 QDA]+"
	"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate-13C7[+13CD3 QDA]+"
	"4-(2-Aminophenyl)-2,4-dioxobutanoate-13C0[+H]+"
	"4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone-13C0[+Na]+"
	"4,4-Bis[4-(acetyloxy)phenyl]3-hexanone-13C0[+QDA adduct]+"
	"4,4'-Dihydroxybenzophenone-13C0[+QDA adduct+Na]+"
	"4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol-13C0[+QDA adduct+Na]+"
	"4,4-Disubstituted cyclohexenone-13C0[+QDA adduct+Na]+"
	"4',5,6,7-Tetramethoxyflavone-13C0[+QDA adduct]+"
	"4,5-seco-Dopa-13C0[+H]+"
	"4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol-13C0[+QDA adduct+Na]+"
	"4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone-13C0[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C0[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C0[+QDA adduct]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C0[+QDA adduct+Na]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C1[+13CD3 QDA]+"
	"4-(Octyloxy)benzaldehyde, Octylbenzoate, Polygodial-13C1[+QDA adduct]+"
	"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[+QDA adduct]+"
	"5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate-13C0[+H]+"
	"5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate-13C10[+H]+"
	"5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate-13C1[+H]+"
	"5,6-Indolequinone-2-carboxylic acid-13C0[+H]+"
	"5,6-Indolequinone-2-carboxylic acid-13C0[+QDA adduct]+"
	"5,6-Indolequinone-2-carboxylic acid-13C1[+H]+"
	"5,7-Dimethoxyflavone-13C0[+H]+"
	"5,7-Dimethoxyflavone-13C0[+Na]+"
	"5,7-Dimethoxyflavone-13C0[+QDA adduct+Na]+"
	"5a,11a-Dehydrochlortetracycline-13C0[+QDA adduct+Na]+"
	"5a,11a-Dehydrochlortetracycline-13C12[+QDA adduct+Na]+"
	"5a,11a-Dehydrochlortetracycline-13C1[+QDA adduct+Na]+"
	"5a,11a-Dehydrooxytetracycline-13C0[+Na]+"
	"5a,11a-Dehydrooxytetracycline-13C0[+QDA adduct]+"
	"5a,11a-Dehydrooxytetracycline-13C1[+Na]+"
	"6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate-13C0[+H]+"
	"6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate-13C12[+H]+"
	"6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate-13C1[+H]+"
	"6,6'-Dibromoindigotin-13C0[+13CD3 QDA]+"
	"6,6'-Dibromoindigotin-13C1[+13CD3 QDA]+"
	"6,6'-Dibromoindigotin-13C13[+13CD3 QDA]+"
	"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone-13C0[+Na]+"
	"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone-13C0[+QDA adduct]+"
	"6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione-13C0[+H]+"
	"6alpha-Fluoropregn-4-ene-3,11,20-trione-13C0[+QDA adduct+Na]+"
	"6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate-13C0[+Na]+"
	"7a,12a-Dihydroxy-3-oxo-4-cholenoate-13C0[+QDA adduct+Na]+"
	"7alpha-Methyl-4-pregnene-3,20-dione-13C0[+Na]+"
	"7-Hydroxy-6-methylhepta-3,5-dienal-13C0[+13CD3 QDA]+"
	"7-Hydroxy-6-methylhepta-3,5-dienal-13C0[+13CD3 QDA]+NH4"
	"7-Hydroxy-6-methylhepta-3,5-dienal-13C0[+QDA adduct]+"
	"7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate-13C0[+QDA adduct]+"
	"8,8a-Deoxyoleandolide-13C0[+Na]+"
	"8,8a-Deoxyoleandolide-13C0[+QDA adduct+Na]+"
	"9,10-Phenanthroquinone-13C0[+H]+"
	"9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione-13C0[+13CD3 QDA]+"
	"9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione-13C0[+H]+"
	"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-13C0[+QDA adduct]+"
	"9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione-13C1[+13CD3 QDA]+"
	"9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione-13C13[+QDA adduct]+"
	"9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione-13C14[+QDA adduct]+"
	"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-13C1[+QDA adduct]+"
	"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+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-13C20[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C6[+QDA adduct+Na]+"
	"9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C8[+QDA adduct+Na]+"
	"9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione-13C0[+13CD3 QDA]+"
	"9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one-13C0[+H]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione-13C0[+Na]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C0[+H]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C0[+QDA adduct]+"
	"9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione-13C0[+QDA adduct+Na]+"
	"Baicalein 5,6,7-trimethyl ether-13C0[+QDA adduct+Na]+"
	"CDP-4-dehydro-3,6-dideoxy-glucose-13C0[+QDA adduct]+"
	"Cholesta-4,6-dien-3-one-13C0[+QDA adduct+Na]+"
	"DAHP, 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C0[+QDA adduct+Na]+"
	"DAHP, 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C1[+QDA adduct+Na]+"
	"DAHP, 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C3[+QDA adduct+Na]+"
	"DAHP, 2-Dehydro-3-deoxy-arabino-heptonate 7-phosphate-13C7[+QDA adduct+Na]+"
	"Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside-13C0[+Na]+"
	"dTDP-2,6-dideoxy-glycero-hex-2-enos-4-ulose-13C0[+13CD3 QDA]+"
	"dTDP-4-oxo-2,6-dideoxy-GLC-13C0[+QDA adduct]+"
	"E,e-Carotene-3,3'-dione-13C0[+QDA adduct+Na]+"
	"Hentriacontane-14,16-dione-13C0[+QDA adduct]+"
	"Indole-5,6-quinone-13C0[+Na]+"
	"Indole-5,6-quinone-13C1[+Na]+"
	"Indole-5,6-quinone-13C6[+Na]+"
	"Ingenol 3,20-dibenzoate-13C0[+QDA adduct+Na]+"
	"N'-Formylkynurenine-13C0[+H]+"
	"Oxoavermectin ''1b'' aglycone-13C0[+Na]+"
	"Oxoavermectin ''2a'' aglycone-13C0[+Na]+"
	"Oxoavermectin ''2b'' aglycone-13C0[+QDA adduct]+"
	"Phorbol 12,13-dibutanoate-13C0[+QDA adduct+Na]+"
	"Premithramycin A3'-13C0[+H]+"
	"Pyrene-1,6-dione-13C0[+13CD3 QDA]+"
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.