Index:MassBank/Molecules

CAS	KeioID	MassBank ID	Name
56-12-2	A002-	KOX00001p	GABA
56-12-2	A002+	KOX00002p	GABA
58-61-7	A007-	KOX00003p	Adenosine
58-61-7	A007+	KOX00004p	Adenosine
118-92-3	A010-	KOX00005p	Anthranilate
118-92-3	A010+	KOX00006p	Anthranilate
338-69-2	A011-	KOX00007p	D-Ala
338-69-2	A011+	KOX00008p	D-Ala
56-41-7	A015-	KOX00009p	L-Ala
56-41-7	A015+	KOX00010p	L-Ala
70-47-3	A016-	KOX00011p	Asn
70-47-3	A016+	KOX00012p	Asn
56-84-8	A017-	KOX00013p	Asp
131-48-6	A018-	KOX00015p	N-Acetylneuraminate
131-48-6	A018+	KOX00016p	N-Acetylneuraminate
107-95-9	A021-	KOX00017p	b-Ala
107-95-9	A021+	KOX00018p	b-Ala
64-19-7	A029-	KOX00019p	Acetate
585-84-2	A030-	KOX00020p	cis-Aconitate
1188-37-0	A031-	KOX00021p	N-Acetylglutamate
	A032-	KOX00023p	N-Acetylornithine
	A032+	KOX00024p	N-Acetylornithine
19046-78-7	A037-	KOX00025p	Adenylosuccinate
19046-78-7	A037+	KOX00027p	Adenylosuccinate
	A039-	KOX00028p	Argininosuccinate
	A039+	KOX00029p	Argininosuccinate
934-32-7	A042-	KOX00031p	2-Aminobenzimidazole
934-32-7	A042+	KOX00032p	2-Aminobenzimidazole
150-13-0	A043-	KOX00033p	p-Aminobenzoate
150-13-0	A043+	KOX00034p	p-Aminobenzoate
61-82-5	A045-	KOX00035p	3-Amino-1,2,4-triazole
22059-21-8	A047-	KOX00037p	1-Aminocyclopropane-1-carboxylate
62-57-7	A048-	KOX00038p	a-Aminoisobutyrate
62-57-7	A048+	KOX00039p	a-Aminoisobutyrate
52-52-8	A050-	KOX00040p	1-Amino-1-cyclopentanecarboxylate
52-52-8	A050+	KOX00041p	1-Amino-1-cyclopentanecarboxylate
60-32-2	A053-	KOX00042p	6-Aminohexanoate
	A056-	KOX00044p	2-Aminoethylphosphonate
	A056+	KOX00045p	2-Aminoethylphosphonate
6323-97-3	A057-	KOX00046p	1-Aminoethylphosphonate
638-23-3	A059-	KOX00047p	S-Carboxymethylcysteine
123-99-9	A063-	KOX00049p	Azelaate
65-82-7	A065-	KOX00050p	N-Acetylmethionine
65-82-7	A065+	KOX00051p	N-Acetylmethionine
2018-61-3	A067-	KOX00052p	N-Acetylphenylalanine
2018-61-3	A067+	KOX00053p	N-Acetylphenylalanine
59277-89-3	A071+	KOX00054p	Acyclovir
2497-02-1	A073-	KOX00055p	N-Acetylhistidine
2497-02-1	A073+	KOX00056p	N-Acetylhistidine
124-04-9	A076-	KOX00057p	Adipate
2623-91-8	A087-	KOX00058p	D-2-Aminobutyrate
2623-91-8	A087+	KOX00059p	D-2-Aminobutyrate
3128-06-1	A092-	KOX00060p	4-Acetylbutyrate
	A093-	KOX00061p	Nw-Acetylhistamine
	A093+	KOX00062p	Nw-Acetylhistamine
542-32-5	A110-	KOX00063p	a-Aminoadipate
542-32-5	A110+	KOX00064p	a-Aminoadipate
4023-65-8	A117-	KOX00065p	trans-Aconitate
	A122-	KOX00066p	N-Acetylglucosamine 1-phosphate
	A122+	KOX00067p	N-Acetylglucosamine 1-phosphate
	A127-	KOX00068p	b-Ala-Lys
	A127+	KOX00069p	b-Ala-Lys
142-45-0	A128-	KOX00070p	Acetylendicarboxylate
65-49-6	A129-	KOX00071p	4-Aminosalicylate
103-84-4	A130-	KOX00072p	Acetanilide
103-84-4	A130+	KOX00073p	Acetanilide
	A131-	KOX00074p	2-Amino-3-phosphonopropionate
	A131+	KOX00075p	2-Amino-3-phosphonopropionate
3031-94-5	A133-	KOX00076p	5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5-monophosphate
3031-94-5	A133+	KOX00077p	5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5-monophosphate
660-88-8	A135+	KOX00079p	5-Aminopentanoate
	A136-	KOX00080p	5-Amino-4-imidazolecarboxamide
	A136+	KOX00081p	5-Amino-4-imidazolecarboxamide
3025-95-4	A138-	KOX00082p	N-Acetyl-b-alanine
3025-95-4	A138+	KOX00083p	N-Acetyl-b-alanine
99-16-1	A139-	KOX00084p	Allantoate
584-85-0	A140-	KOX00085p	Anserine
584-85-0	A140+	KOX00086p	Anserine
997-55-7	A142-	KOX00087p	N-Acetylaspartate
	A144-	KOX00088p	N-Acetylglucosamine 6-phosphate
1188-21-2	A145-	KOX00089p	N-Acetylleucine
1188-21-2	A145+	KOX00090p	N-Acetylleucine
13137-52-5	A147-	KOX00091p	Arabinose 5-phosphate
100-09-4	A154-	KOX00092p	p-Anisate
5977-14-0	A165-	KOX00093p	Acetoacetamide
692-04-6	A174-	KOX00094p	Ne-Acetyllysine
692-04-6	A174+	KOX00095p	Ne-Acetyllysine
	A176-	KOX00096p	3-Amino-3-(4-hydroxyphenyl)propionate
82-76-8	A177-	KOX00097p	8-Anilino-1-naphthalene sulfonate
157296-99-6	A184-	KOX00098p	N-Acetylgalactosamine 6-sulfate
	A189-	KOX00099p	2-Amino-2-methylbutanoate
	A189+	KOX00100p	2-Amino-2-methylbutanoate
61633-75-8	A191-	KOX00101p	N-Acetylmuramate
61633-75-8	A191+	KOX00102p	N-Acetylmuramate
2163-68-0	A196-	KOX00103p	Hydroxyatrazine
2163-68-0	A196+	KOX00104p	Hydroxyatrazine
2133-34-8	A219-	KOX00105p	Azetidine-2-carboxylate
80-08-0	A220-	KOX00106p	4-Aminophenylsulfone
1066-51-9	A235-	KOX00108p	(Aminomethyl)phosphonate
1066-51-9	A235+	KOX00109p	(Aminomethyl)phosphonate
	A237-	KOX00110p	Aminophylline
	A237+	KOX00111p	Aminophylline
	A240-	KOX00112p	(S)-2-Aminobutyrate
	A240+	KOX00113p	(S)-2-Aminobutyrate
65-85-0	B002-	KOX00114p	Benzoate
884-33-3	B005-	KOX00115p	Benzyl succinate
107-92-6	B006-	KOX00116p	Butanoate
51-17-2	B007-	KOX00117p	Benzimidazole
51-17-2	B007+	KOX00118p	Benzimidazole
1214-39-7	B015-	KOX00119p	6-Benzylaminopurine
1214-39-7	B015+	KOX00120p	6-Benzylaminopurine
58970-76-6	B018-	KOX00121p	Bestatin
58970-76-6	B018+	KOX00122p	Bestatin
2079-00-7	B019-	KOX00123p	Blasticidin S
2079-00-7	B019+	KOX00124p	Blasticidin S
58-85-5	B020-	KOX00125p	Biotin
7536-55-2	B023-	KOX00127p	N-a-t-Boc-asparagine
611-73-4	B041-	KOX00128p	Benzoylformate
25057-89-0	B072-	KOX00130p	Bentazon
25057-89-0	B072+	KOX00131p	Bentazon
	B093-	KOX00132p	Bumetanide
77-92-9	C005-	KOX00134p	Citrate
305-84-0	C012-	KOX00135p	Carnosine
372-75-8	C013-	KOX00137p	Citrulline
372-75-8	C013+	KOX00138p	Citrulline
1115-65-7	C015-	KOX00139p	Cysteine sulfinate
140-10-3	C016-	KOX00141p	trans-Cinnamate
7400-08-0 501-98-4	C024-	KOX00142p	p-Coumarate
13184-27-5	C025-	KOX00143p	Carbamoylaspartate
71-30-7	C033-	KOX00144p	Cytosine
60-27-5	C034-	KOX00146p	Creatinine
60-27-5	C034+	KOX00147p	Creatinine
142-62-1	C035-	KOX00148p	Hexanoate
498-23-7	C036-	KOX00149p	Citraconate
124-07-2	C037-	KOX00150p	Octanoate
119-67-5	C038-	KOX00151p	2-Carboxybenzaldehyde
614-60-8	C039-	KOX00152p	o-Coumarate
86-74-8	C040-	KOX00153p	Carbazole
86-74-8	C040+	KOX00154p	Carbazole
95-25-0	C042-	KOX00155p	Chlorzoxazone
56-75-7	C057-	KOX00156p	Chloramphenicol
56-75-7	C057+	KOX00157p	Chloramphenicol
81-25-4	C061-	KOX00158p	Cholate
327-97-9	C063-	KOX00159p	Chlorogenate
327-97-9	C063+	KOX00160p	Chlorogenate
154-87-0	C077+	KOX00162p	Cocarboxylase
	C078-	KOX00163p	N-Carbamylglutamate
118-91-2	C088-	KOX00164p	2-Chlorobenzoate
3724-65-0	C093-	KOX00165p	Crotonate
543-38-4	C094-	KOX00166p	Canavanine
543-38-4	C094+	KOX00167p	Canavanine
	C101-	KOX00169p	Citramalate
74-11-3	C104-	KOX00170p	4-Chlorobenzoate
331-39-5	C107-	KOX00171p	Caffeate
147-94-4	C119-	KOX00173p	Cytosine arabinoside
1637-71-4	C127-	KOX00175p	Cysteine S-sulfate
1637-71-4	C127+	KOX00176p	Cysteine S-sulfate
122-88-3	C151-	KOX00177p	p-Chlorophenoxyacetate
536-66-3	C157-	KOX00178p	Cumate
98-89-5	C180-	KOX00179p	Cyclohexanecarboxylate
	C208-	KOX00180p	Cimetidine
	C208+	KOX00181p	Cimetidine
	D013-	KOX00182p	2-Deoxyribose 1-phosphate
	D014-	KOX00183p	Dihydroxyacetone phosphate
	D017-	KOX00184p	2,3-Diphosphoglycerate
	D026-	KOX00186p	2-Deoxyribose 5-phosphate
79-43-6	D034-	KOX00187p	Dichloroacetate
51-61-6	D046-	KOX00188p	Dopamine
1078-61-1	D047-	KOX00190p	Dihydrocafeate
99-30-9	D048-	KOX00191p	2,6-Dichloro-4-nitroaniline
693-23-2	D049-	KOX00192p	Dodecanedioate
609-99-4	D050-	KOX00193p	3,5-Dinitrosalicylate
364-98-7	D051-	KOX00194p	Diazoxide
364-98-7	D051+	KOX00195p	Diazoxide
951-77-9	D055-	KOX00196p	2-Deoxycytidine
300-39-0 66-02-4	D056-	KOX00198p	3,5-Diiodo-tyrosine
961-07-9	D057-	KOX00200p	2-Deoxyguanosine
961-07-9	D057+	KOX00201p	2-Deoxyguanosine
22494-42-4	D058-	KOX00202p	Diflunisal
23214-92-8	D064-	KOX00204p	Doxorubicin
23214-92-8	D064+	KOX00205p	Doxorubicin
775-01-9	D066-	KOX00206p	3,4-Dihydroxymandelate
51-28-5	D097-	KOX00207p	2,4-Dinitrophenol
5894-59-7	D100-	KOX00208p	Digalacturonate
	D101-	KOX00209p	2-Deoxyglucose 6-phosphate
5871-17-0	D113-	KOX00210p	O, O-Diethyl thiophosphate
5871-17-0	D113+	KOX00211p	O, O-Diethyl thiophosphate
15307-86-5	D128-	KOX00212p	Diclofenac
15307-86-5	D128+	KOX00213p	Diclofenac
	D131-	KOX00214p	Na,Na-Dimethylhistidine
50-84-0	D135-	KOX00216p	2,4-Dichlorobenzoate
598-02-7	D141-	KOX00217p	Diethyl phsophate
598-02-7	D141+	KOX00218p	Diethyl phsophate
140-22-7	D166-	KOX00220p	1,5-Diphenylcarbohydrazide
1596-84-5	D173-	KOX00222p	Daminozide
	E005-	KOX00224p	N-Ethylglutamine
	E005+	KOX00225p	N-Ethylglutamine
1071-23-4	E009-	KOX00226p	Ethanolamine phosphate
2809-21-4	E010-	KOX00227p	Etidronate
	E011-	KOX00228p	Ectoine
	E011+	KOX00229p	Ectoine
536-33-4	E012-	KOX00230p	Ethionamide
536-33-4	E012+	KOX00231p	Ethionamide
66701-25-5	E015-	KOX00232p	E-64
66701-25-5	E015+	KOX00233p	E-64
621-51-2	E026-	KOX00234p	3-Ethoxybenzoate
51-43-4	E033-	KOX00235p	Epinephrine
51-43-4	E033+	KOX00236p	Epinephrine
	E034-	KOX00237p	Etodolac
	E034+	KOX00238p	Etodolac
643-13-0	F001-	KOX00239p	Fructose 6-phosphate
488-69-7	F008-	KOX00240p	Fructose 1,6-diphosphate
488-69-7	F008+	KOX00241p	Fructose 1,6-diphosphate
15978-08-2	F009-	KOX00242p	Fructose 1-phosphate
	F010-	KOX00243p	Fructose 2,6-diphosphate
525-79-1	F014-	KOX00244p	6-Furfurylaminopurine
525-79-1	F014+	KOX00245p	6-Furfurylaminopurine
88-14-2	F020-	KOX00246p	2-Furoate
19427-28-2	F022-	KOX00247p	N-Formylaspartate
456-22-4	F023-	KOX00248p	4-Fluorobenzoate
445-29-4	F024-	KOX00249p	o-Fluorobenzoate
	F025-	KOX00250p	Formiminoaspartate
455-38-9	F032-	KOX00252p	3-Fluorobenzoate
	F034-	KOX00253p	N-Formylmethionine
50-99-7	G002-	KOX00255p	Glucose
6556-12-3	G004-	KOX00257p	Glucuronate
6893-26-1	G005-	KOX00258p	D-Glu
70-18-8	G009-	KOX00260p	Glutathione
56-40-6	G011-	KOX00261p	Gly
56-40-6	G011+	KOX00262p	Gly
79-14-1	G012-	KOX00263p	Glycolate
298-12-4	G013-	KOX00264p	Glyoxylate
118-00-3	G015-	KOX00265p	Guanosine
118-00-3	G015+	KOX00266p	Guanosine
56-85-9	G018-	KOX00267p	L-Gln
56-85-9	G018+	KOX00268p	L-Gln
56-86-0	G019-	KOX00269p	L-Glu
59-56-3	G020-	KOX00271p	Glucose 1-phosphate
473-81-4	G027-	KOX00273p	Glycerate
526-95-4	G031-	KOX00274p	Gluconate
463-00-3	G032-	KOX00275p	g-Guanidinobutyrate
463-00-3	G032+	KOX00276p	g-Guanidinobutyrate
110-94-1	G036-	KOX00277p	Glutarate
556-50-3	G037-	KOX00278p	Gly-Gly
3929-61-1	G043-	KOX00280p	Glu-Glu
149-91-7	G049-	KOX00282p	Gallate
475-31-0	G050-	KOX00283p	Glycocholate
475-31-0	G050+	KOX00284p	Glycocholate
1405-86-3	G057-	KOX00285p	Glycyrrhizate
1405-86-3	G057+	KOX00286p	Glycyrrhizate
3646-68-2	G061-	KOX00287p	Glucosaminate
3646-68-2	G061+	KOX00288p	Glucosaminate
	G062-	KOX00289p	N-Glycolylneuraminate
	G062+	KOX00290p	N-Glycolylneuraminate
	G065-	KOX00291p	Galactosamine 1-phosphate
	G065+	KOX00292p	Galactosamine 1-phosphate
	G066-	KOX00293p	Galacturonate 1-phosphate
869-19-2	G071-	KOX00294p	Gly-Leu
869-19-2	G071+	KOX00295p	Gly-Leu
77-06-5	G074-	KOX00296p	Gibberellate
1449-05-4 471-53-4	G075-	KOX00297p	Glycyrrhetinate
	G088-	KOX00299p	Ganciclovir
	G088+	KOX00300p	Ganciclovir
5418-95-1	G101-	KOX00301p	2-Guanidinobenzimidazole
5418-95-1	G101+	KOX00302p	2-Guanidinobenzimidazole
24305-27-9	G117-	KOX00305p	TRH
71-00-1	H002-	KOX00307p	His
71-00-1	H002+	KOX00308p	His
99-96-7	H005-	KOX00309p	p-Hydroxybenzoate
156-38-7	H006-	KOX00310p	p-Hydroxyphenylacetate
	H007-	KOX00311p	p-Hydroxyphenylpyruvate
3650-73-5	H013-	KOX00312p	Homocarnosine
68-94-0	H014-	KOX00314p	Hypoxanthine
68-94-0	H014+	KOX00315p	Hypoxanthine
5006-66-6	H015-	KOX00316p	6-Hydroxynicotinate
5006-66-6	H015+	KOX00317p	6-Hydroxynicotinate
300-84-5	H017-	KOX00318p	Hypotaurine
300-84-5	H017+	KOX00319p	Hypotaurine
99-06-9	H019-	KOX00320p	m-Hydroxybenzoate
69-72-7	H020-	KOX00321p	o-Hydroxybenzoate
	H022-	KOX00322p	b-Hydroxybutyrate
594-61-6	H026-	KOX00323p	2-Hydroxyisobutyrate
304-21-2	H027-	KOX00324p	Harmaline
304-21-2	H027+	KOX00325p	Harmaline
487-54-7	H028-	KOX00326p	o-Hydroxyhippurate
486-84-0	H029-	KOX00327p	Harman
111-14-8	H031-	KOX00329p	Heptanoate
764-89-6	H034-	KOX00330p	8-Hydroxyoctanoate
617-73-2	H035-	KOX00331p	2-Hydroxyoctanoate
6064-63-7	H036-	KOX00332p	2-Hydroxyhexanoate
462-10-2	H041-	KOX00333p	Homocystine
2584-71-6	H048-	KOX00334p	cis-4-Hydroxyproline
2584-71-6	H048+	KOX00335p	cis-4-Hydroxyproline
	H056-	KOX00336p	4-Hydroxy-3-methoxymandelate
	H057-	KOX00337p	5-Hydroxy-3-indoleaceacetate
306-08-1	H059-	KOX00339p	Homovanillate
451-13-8	H060-	KOX00340p	Homogentisate
1191-25-9	H061-	KOX00341p	6-Hydroxyhexanoate
1190-94-9	H064-	KOX00342p	5-Hydroxylysine
495-69-2	H065-	KOX00344p	Hippurate
501-97-3	H066-	KOX00345p	3-(4-Hydroxyphenyl)propionate
156-86-5	H073-	KOX00346p	Homoarginine
156-86-5	H073+	KOX00347p	Homoarginine
1135-24-6	H074-	KOX00348p	trans-4-Hydroxy-3-methoxycinnamate
1679-53-4	H077-	KOX00349p	10-Hydroxydecanoate
	H081-	KOX00350p	4-Hydroxymandelate
503-49-1	H084-	KOX00351p	3-Hydroxy-3-methylglutarate
	H086-	KOX00352p	threo-b-Hydroxyaspartate
20312-37-2	H091-	KOX00353p	2-Hydroxy-4-methylpentanoate
	H096-	KOX00354p	Serine O-sulfate
	H099-	KOX00355p	2-(4-Hydroxyphenyl)propionate
503-66-2	H110-	KOX00356p	b-Hydroxypropionate
121-34-6	H115-	KOX00357p	4-Hydroxy-3-methoxybenzoate
611-36-9	H139-	KOX00358p	4-Hydroxyquinoline
611-36-9	H139+	KOX00359p	4-Hydroxyquinoline
320-77-4	I001-	KOX00360p	Isocitrate
35656-49-6	I002-	KOX00361p	Indole-3-pyrubate
58-63-9	I003-	KOX00362p	Inosine
73-32-5	I008-	KOX00363p	Ile
79-31-2	I012-	KOX00365p	Isobutyrate
97-65-4	I013-	KOX00366p	Itaconate
3038-89-9	I015-	KOX00367p	Isoguvacine
3038-89-9	I015+	KOX00368p	Isoguvacine
503-74-2	I018-	KOX00369p	3-Methylbutanoate
91-56-5	I019-	KOX00370p	Isatin
91-56-5	I019+	KOX00371p	Isatin
526-55-6	I021-	KOX00372p	Indole-3-ethanol
771-51-7	I022-	KOX00373p	3-Indoleacetonitrile
537-73-5	I024-	KOX00375p	Isoferulate
133-32-4	I025-	KOX00376p	3-Indolebutyrate
133-32-4	I025+	KOX00377p	3-Indolebutyrate
879-37-8	I030-	KOX00378p	Indole-3-acetamide
879-37-8	I030+	KOX00379p	Indole-3-acetamide
87-51-4	I038-	KOX00380p	Indole-3-acetate
87-51-4	I038+	KOX00381p	Indole-3-acetate
107-36-8	I041-	KOX00382p	Isethionate
	I048-	KOX00383p	2-Isopropylmalate
70-78-0	I050-	KOX00384p	3-Iodotyrosine
70-78-0	I050+	KOX00385p	3-Iodotyrosine
2642-37-7	I054-	KOX00386p	3-Indoxyl sulfate
54-85-3	I066-	KOX00387p	Isonicotinate hydrazide
54-85-3	I066+	KOX00388p	Isonicotinate hydrazide
3184-35-8	K009-	KOX00389p	2-Oxoadipate
61-90-5	L003-	KOX00390p	Leu
56-87-1	L004-	KOX00392p	Lys
56-87-1	L004+	KOX00393p	Lys
79-33-4	L005-	KOX00394p	Lactate
24365-47-7	L006-	KOX00395p	Leupeptin hemisulfate
24365-47-7	L006+	KOX00396p	Leupeptin hemisulfate
20368-24-5	L007-	KOX00397p	Leu-Leu-Tyr
143-07-7	L013-	KOX00399p	Laurate
25138-66-3	L016-	KOX00400p	S-Lactoylglutathione
25138-66-3	L016+	KOX00401p	S-Lactoylglutathione
60-33-3	L030-	KOX00402p	(9Z, 12Z)-Octadecadienoate
22255-40-9	L043-	KOX00403p	Loganate
97-67-6	M002-	KOX00404p	Malate
63-68-3	M003-	KOX00405p	Met
63-68-3	M003+	KOX00406p	Met
	M006-	KOX00407p	3-Methyl-2-oxobutanoate
	M007-	KOX00408p	4-Methyl-2-oxopentanoate
3672-15-9	M008-	KOX00409p	Mannose 6-phosphate
	M009-	KOX00410p	threo-b-methylaspartate
141-82-2	M012-	KOX00411p	Malonate
516-05-2	M014-	KOX00412p	Methylmalonate
616-04-6	M016-	KOX00413p	1-Methylhydantoin
99-94-5	M017-	KOX00414p	4-Methylbenzoate
99-04-7	M018-	KOX00415p	3-Methylbenzoate
75-75-2	M021-	KOX00416p	Methanesulfonate
110-16-7	M026-	KOX00417p	Maleate
3913-67-5	M028-	KOX00418p	N-Methylalanine
	M035+	KOX00420p	Minoxidil
608-07-1	M040-	KOX00423p	5-Methoxytryptamine
608-07-1	M040+	KOX00424p	5-Methoxytryptamine
544-63-8	M041-	KOX00425p	Myristate
2958-98-7	M042-	KOX00426p	3-Methylguanine
2958-98-7	M042+	KOX00427p	3-Methylguanine
578-76-7	M043-	KOX00428p	7-Methylguanine
544-64-9	M044-	KOX00430p	Myristoleate
	M052-	KOX00431p	4-Methylpentanoate
73-31-4	M053-	KOX00432p	Melatonin
73-31-4	M053+	KOX00433p	Melatonin
50-44-2	M054-	KOX00434p	6-Mercaptopurine
90-64-2 611-72-3	M057-	KOX00436p	(S)-Mandelate
75-93-4	M062-	KOX00437p	Methyl sulfate
526-99-8	M065-	KOX00438p	Mucate
	M067-	KOX00439p	N-Methylglutamate
	M067+	KOX00440p	N-Methylglutamate
443-72-1	M072-	KOX00441p	6-Methylaminopurine
5142-22-3	M074-	KOX00442p	1-Methyladenine
5142-22-3	M074+	KOX00443p	1-Methyladenine
	M078-	KOX00444p	5-Methoxy-3-indoleaceate
	M080-	KOX00446p	Mannose 1-phosphate
	M080+	KOX00447p	Mannose 1-phosphate
61-68-7	M089-	KOX00448p	Mefenamate
	M104+	KOX00451p	6-Methylmercaptopurine
505-70-4	M105-	KOX00452p	cis,cis-Muconic acid
	M114-	KOX00453p	Methionine sulfoximine
119-68-6	M127-	KOX00455p	N-Methylanthranilate
10118-90-8	M159-	KOX00458p	Minocycline
	M163-	KOX00460p	(Methylthio)acetate
59-67-6	N004-	KOX00461p	Nicotinate
6600-40-4	N009-	KOX00463p	Norvaline
100-01-6	N012+	KOX00467p	p-Nitroaniline
327-57-1	N014-	KOX00468p	Norleucine
22204-53-1	N018-	KOX00470p	Naproxen
328-50-7	O002-	KOX00472p	2-Oxoglutarate
70-26-8	O003-	KOX00473p	L-Ornithine
98-79-3	O008-	KOX00475p	L-5-Oxoproline
34522-32-2	O009-	KOX00477p	Octopine
34522-32-2	O009+	KOX00478p	Octopine
471-47-6	O011-	KOX00479p	Oxamate
504-15-4	O013-	KOX00480p	Orcinol
	O014-	KOX00481p	4-Oxohexanoate
2149-82-8	O015-	KOX00482p	Orotidine 5-monophosphate
63-91-2	P002-	KOX00484p	Phe
63-91-2	P002+	KOX00485p	Phe
138-08-9	P007-	KOX00488p	Phosphoenolpyruvate
66-72-8	P014-	KOX00490p	Pyridoxal
66-72-8	P014+	KOX00491p	Pyridoxal
	P023-	KOX00492p	5-Phosphorylribose 1-pyrophosphate
79-09-4	P024-	KOX00493p	Propionate
127-17-3	P027-	KOX00494p	Pyruvate
	P029-	KOX00495p	2-Phosphoglycerate
	P031-	KOX00497p	6-Phosphogluconate
79-83-4	P032-	KOX00498p	Pantothenate
701-64-4	P033-	KOX00500p	Phenyl phosphate
54-47-7	P038-	KOX00502p	Pyridoxal 5-phosphate
59703-84-3	P039-	KOX00503p	Piperacillin
59703-84-3	P039+	KOX00504p	Piperacillin
471-25-0	P040-	KOX00505p	Propiolate
373-49-9	P044-	KOX00506p	Palmitoleate
3105-95-1	P048-	KOX00507p	Pipecolate
65-23-6	P053-	KOX00509p	Pyridoxine
65-23-6	P053+	KOX00510p	Pyridoxine
51-52-5	P055-	KOX00511p	Propylthiouracil
51-52-5	P055+	KOX00512p	Propylthiouracil
59-42-7	P059-	KOX00513p	Phenylephrine
111-16-0	P063-	KOX00515p	Pimelate
551-11-1	P066-	KOX00516p	Prostaglandin F2a
2238-90-6	P067-	KOX00517p	Psychosine
2238-90-6	P067+	KOX00518p	Psychosine
36322-90-4	P068-	KOX00519p	Piroxicam
36322-90-4	P068+	KOX00520p	Piroxicam
112-05-0	P069-	KOX00521p	Pelargonate
495-78-3	P072-	KOX00522p	3-(2-Hydroxyphenyl)propionate
53-79-2	P075-	KOX00525p	Puromycin
53-79-2	P075+	KOX00526p	Puromycin
88-99-3	P080-	KOX00527p	Phthalate
4042-36-8	P092-	KOX00528p	D-5-Oxoproline
4042-36-8	P092+	KOX00529p	D-5-Oxoproline
89-00-9	P094-	KOX00530p	2,3-Pyridinedicarboxylate
501-52-0	P109-	KOX00532p	3-Phenylpropionate
	P111-	KOX00533p	3-Phenyllactate
	P112-	KOX00534p	Pyrrole 2-carboxylate
529-96-4	P113-	KOX00535p	Pyridoxamine 5-phosphate
85-87-0	P116-	KOX00537p	Pyridoxamine
36357-77-4	P122-	KOX00538p	Phosphoramidon
36357-77-4	P122+	KOX00539p	Phosphoramidon
122-59-8	P129-	KOX00540p	Phenoxyacetate
52809-07-1	Q003-	KOX00541p	Quisqualate
	Q004-	KOX00543p	Quinate
	R002-	KOX00544p	Ribose 5-phosphate
24218-00-6	R005-	KOX00545p	Ribulose 1,5-diphosphate
25546-65-0	R016-	KOX00546p	Ribostamycin
25546-65-0	R016+	KOX00547p	Ribostamycin
14075-00-4	R017-	KOX00548p	Ribose 1-phosphate
478-43-3	R037-	KOX00550p	Rhein
	R041-	KOX00551p	Ranitidine
	R041+	KOX00552p	Ranitidine
56-45-1	S002-	KOX00553p	Ser
56-45-1	S002+	KOX00554p	Ser
110-15-6	S004-	KOX00555p	Succinate
138-59-0	S012-	KOX00556p	Shikimate
505-48-6	S013-	KOX00557p	Suberate
505-48-6	S013+	KOX00558p	Suberate
107-97-1	S014-	KOX00559p	Sarcosine
107-97-1	S014+	KOX00560p	Sarcosine
123-56-8	S015-	KOX00561p	Succinimide
111-20-6	S017-	KOX00562p	Sebacate
530-57-4	S018-	KOX00563p	Syringate
87-73-0	S025-	KOX00564p	Saccharate
530-59-6	S028-	KOX00565p	Sinapate
57-92-1	S031-	KOX00566p	Streptomycin sulfate
32385-11-8	S047-	KOX00569p	Sisomicin
20479-58-7	S049-	KOX00572p	Sorbitol 6-phosphate
20479-58-7	S049+	KOX00573p	Sorbitol 6-phosphate
636-78-2	S052-	KOX00574p	4-Sulfobenzoate
121-57-3	S073-	KOX00575p	Sulfanilate
72-14-0	S079-	KOX00576p	Sulfathiazole
72-14-0	S079+	KOX00577p	Sulfathiazole
2646-35-7	S083-	KOX00578p	Sedoheptulose 7-phosphate
60-18-4	T002-	KOX00579p	Tyr
60-18-4	T002+	KOX00580p	Tyr
73-22-3	T003-	KOX00581p	Trp
73-22-3	T003+	KOX00582p	Trp
107-35-7	T004-	KOX00583p	Taurine
107-35-7	T004+	KOX00584p	Taurine
72-19-5	T010-	KOX00585p	Thr
72-19-5	T010+	KOX00586p	Thr
50-89-5	T014-	KOX00587p	Thymidine
65-71-4	T015-	KOX00589p	Thymine
80-59-1	T016-	KOX00591p	Tiglate
28954-12-3	T020-	KOX00592p	allo-threonine
28954-12-3	T020+	KOX00593p	allo-threonine
87-69-4	T023-	KOX00594p	Tartarate
58-55-9	T029-	KOX00595p	Theophylline
118-90-1	T038-	KOX00597p	o-Toluate
6893-02-3	T040-	KOX00598p	3,3,5-Triiodothyronine
6893-02-3	T040+	KOX00599p	3,3,5-Triiodothyronine
81-24-3	T043-	KOX00600p	Taurocholate
81-24-3	T043+	KOX00601p	Taurocholate
80-69-3	T050-	KOX00602p	Tartronate
	T054-	KOX00603p	Tryptophanamide
	T054+	KOX00604p	Tryptophanamide
59-43-8	T056+	KOX00606p	Thiamine
532-40-1	T057+	KOX00608p	Thiamine monophosphate
529-64-6 552-63-6	T059-	KOX00609p	Tropate
4484-88-2	T065-	KOX00610p	Trehalose 6-phosphate
4484-88-2	T065+	KOX00611p	Trehalose 6-phosphate
	T072-	KOX00612p	Taurolithocholate
	T072+	KOX00613p	Taurolithocholate
100-21-0	T100-	KOX00614p	Terephthalate
43121-43-3	T112-	KOX00615p	Triadimefon
93-76-5	T113-	KOX00617p	2,4,5-Trichlorophenoxyacetate
66-22-8	U004-	KOX00618p	Uracil
104-98-3	U011-	KOX00619p	Urocanate
104-98-3	U011+	KOX00620p	Urocanate
112-37-8	U012-	KOX00621p	Undecanoate
72-18-4	V001-	KOX00622p	Val
72-18-4	V001+	KOX00623p	Val
109-52-4	V002-	KOX00624p	Pentanoate
99-66-1	V003-	KOX00625p	Valproate
59-00-7	X004-	KOX00627p	Xanthurenate
59-00-7	X004+	KOX00628p	Xanthurenate
	X008-	KOX00629p	Xylose 1-phosphate
7481-89-2	Z001-	KOX00630p	Zalcitabine
7481-89-2	Z001+	KOX00631p	Zalcitabine
1637-39-4	Z002-	KOX00632p	trans-Zeatin
1637-39-4	Z002+	KOX00633p	trans-Zeatin
1160-54-9	Z003-	KOX00634p	Z-Gly-Pro
5192-23-4	A035+	KOX00637p	4-Aminoindole
151-18-8	A044+	KOX00639p	3-Aminopropionitrile
	A046+	KOX00640p	3-Amino-1,2-propanediol
18233-70-0	A051+	KOX00641p	N-Acetylputrescine
62-53-3	A054+	KOX00643p	Aniline
768-94-5	A061+	KOX00645p	1-Adamantanamine
494-52-0	A068+	KOX00647p	Anabasine
58-15-1	A069+	KOX00648p	Aminopyrine
51-55-8	A080+	KOX00649p	Atropine
	A103+	KOX00652p	Arginine ethyl ester
306-60-5	A104+	KOX00653p	Agmatine
77928-70-2	A111+	KOX00654p	N1-Acetylspermine
95-55-6	A114+	KOX00656p	2-Aminophenol
321-64-2	A123+	KOX00657p	9-Amino-1,2,3,4-tetrahydroacridine
24240-04-8 485-91-6	A137+	KOX00658p	Allocryptopine
	A143+	KOX00659p	O-Acetylcarnitine
20537-88-6	A170+	KOX00661p	Amifostine
77-86-1	A194+	KOX00662p	2-Amino-2-(hydroxymethyl)-1,3-propanediol
69-53-4	A197+	KOX00663p	Ampicillin
1007-28-9	A203+	KOX00664p	Deisopropylatrazine
2609-46-3	A225+	KOX00666p	Amiloride
37517-28-5	A239+	KOX00668p	Amikacin
110-60-1	B001+	KOX00669p	1,4-Butanediamine
618-39-3	B004+	KOX00670p	Benzamidine
55-21-0	B009+	KOX00671p	Benzamide
692-13-7	B010+	KOX00672p	Buformin
94-09-7	B011+	KOX00673p	Benzocaine
	B013+	KOX00674p	Baclofen
	B026+	KOX00676p	Na-Benzenolarginine ethylester
107-43-7	B047+	KOX00681p	Betaine
57-00-1	C008+	KOX00683p	Creatine
58-08-2	C028+	KOX00684p	Caffeine
462-94-2	C032+	KOX00685p	1,5-Diaminopentane
541-15-1	C041+	KOX00686p	Carnitine
56-88-2	C047+	KOX00689p	Cystathionine
100-70-9	C089+	KOX00690p	2-Cyanopyridine
85721-33-1	C133+	KOX00692p	Ciprofloxacin
10605-21-7	C170+	KOX00693p	Carbendazim
	C191+	KOX00695p	Clonidine
407-64-7	C220+	KOX00696p	g-Butyrobetaine
111-42-2	D033+	KOX00698p	Diethanolamine
109-76-2	D035+	KOX00699p	1,3-Diaminopropane
1118-68-9	D036+	KOX00700p	N,N-Dimethylglycine
1758-80-1	D038+	KOX00702p	2,4-Diaminobutyrate
579-66-8	D039+	KOX00703p	2,6-Diethylaniline
122-39-4	D044+	KOX00704p	Diphenylamine
2037-48-1	D061+	KOX00705p	2-Deoxystreptamine
2457-80-9	D067-	KOX00706p	5-Deoxy-5-Methylthioadenosine
2457-80-9	D067+	KOX00707p	5-Deoxy-5-Methylthioadenosine
958-09-8	D069+	KOX00708p	2-Deoxyadenosine
533-48-2	D075+	KOX00709p	Desthiobiotin
764-22-7	D078+	KOX00710p	Dihydrosphingosine
4754-39-6	D082+	KOX00711p	5-Deoxyadenosine
	D083+	KOX00712p	Dimethyl malate
124-40-3	D103+	KOX00714p	Dimethylamine
20830-81-3	D106+	KOX00715p	Daunorubicin
2431-96-1	D122+	KOX00718p	Diethyl-2-phenylacetamide
95-68-1	D180+	KOX00720p	2,4-Dimethylaniline
479-18-5	D183+	KOX00721p	Dyphylline
57-47-6	E007+	KOX00723p	Eserine
128-53-0	E008+	KOX00724p	N-Ethylmaleimide
141-43-5	E023+	KOX00726p	Ethanolamine
75-04-7	E025+	KOX00727p	Ethylamine
	F013+	KOX00730p	Butyl pyridine-2-carboxylate
371-40-4	F048+	KOX00732p	4-Fluoroaniline
5959-95-5	G006+	KOX00733p	D-Gln
27025-41-8	G008+	KOX00734p	Oxidized glutathione
3616-42-0	G021-	KOX00735p	Glucosamine 6-phosphate
3616-42-0	G021+	KOX00736p	Glucosamine 6-phosphate
	G039+	KOX00737p	b-Guanidinopropionate
87-52-5	G041+	KOX00738p	Gramine
7535-00-4	G046+	KOX00739p	Galactosamine
3416-24-8	G051+	KOX00740p	Glucosamine
	G069+	KOX00741p	Glycerophosphorylcholine
672-15-1	H003+	KOX00743p	Homoserine
51-35-4	H004+	KOX00744p	Hydroxyproline
142-08-5	H021+	KOX00745p	2-Hydroxypyridine
822-55-9	H025+	KOX00746p	4-Hydroxymethylimidazole
101-31-5	H045+	KOX00747p	Hyoscyamine
	H050+	KOX00748p	3-Hydroxykynurenine
51-45-6	H058+	KOX00749p	Histamine
	H069+	KOX00750p	Histidinol
127-07-1	H104+	KOX00753p	Hydroxyurea
	H112+	KOX00754p	Hexamethylene tetramine
645-65-8	I014+	KOX00756p	Imidazole-4-acetate
55-22-1	I017+	KOX00757p	Isonicotinate
288-32-4	I046+	KOX00759p	Imidazole
1453-82-3	I051+	KOX00760p	Isonicotinamide
	I053+	KOX00761p	b-Imidazolelactate
55-65-2	I063+	KOX00762p	Ismelin
119-65-3	I067+	KOX00763p	Isoquinoline
343-65-7	K004+	KOX00766p	Kynurenine
6740-88-1	K005+	KOX00767p	Ketamine
	L027+	KOX00769p	Lysinamide
53179-11-6	L047+	KOX00772p	Loperamide
	L057+	KOX00773p	b-Leucine
137-00-8	M013+	KOX00775p	4-Methyl-5-thiazoleethanol
872-50-4	M024+	KOX00776p	1-Methyl-2-pyrrolidone
	M025-	KOX00777p	a-Methylserine
	M025+	KOX00778p	a-Methylserine
554-01-8	M029+	KOX00779p	5-Methylcytosine
5142-23-4	M030+	KOX00780p	3-Methyladenine
	M033+	KOX00782p	Metronidazole
28289-54-5	M034+	KOX00783p	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
60-40-2	M039+	KOX00784p	Mecamylamine
61-73-4	M047+	KOX00785p	Methylene blue
15763-06-1	M051+	KOX00787p	1-Methyladenosine
100-61-8	M066+	KOX00789p	N-Methylaniline
555-57-7	M071+	KOX00790p	N-Methyl-N-propagylbenzylamine
	M076+	KOX00791p	L-3-Methylhistidine
368-16-1	M077-	KOX00792p	D-3-Methylhistidine
368-16-1	M077+	KOX00793p	D-3-Methylhistidine
14307-02-9	M081+	KOX00794p	Mannosamine
1114-41-6	M082+	KOX00795p	Muramate
60-99-1	M099+	KOX00796p	Methotrimeprazine
61-49-4	M101+	KOX00797p	Nw-Methyltryptamine
1019-45-0	M103+	KOX00798p	5-Methoxy-N,N-dimethyltryptamine
2002-35-9	M110+	KOX00799p	N6-Methyl-2-deoxyadenosine
54-36-4	M111+	KOX00800p	Metyrapone
101-14-4	M142+	KOX00804p	4,4-Methylene bis(o-chloroaniline)
390-28-3	M169+	KOX00808p	Methoxamine
532-12-7	M172+	KOX00809p	Myosmine
54-11-5	N016+	KOX00811p	Nicotine
114-80-7	N063+	KOX00815p	Neostigmine
111-86-4	O007+	KOX00819p	Octylamine
110-89-4	P034+	KOX00822p	Piperidine
25265-76-3 108-45-2	P035+	KOX00823p	1,3-Phenylenediamine
94-78-0	P036+	KOX00824p	Phenazopyridine
98-98-6	P045+	KOX00826p	2-Picolate
110-85-0	P046+	KOX00827p	Piperazine
64-04-0	P047+	KOX00828p	Phenylethylamine
120-73-0	P049+	KOX00829p	Purine
552-70-5	P054+	KOX00830p	Pseudopelletierine
66-71-7	P057+	KOX00832p	o-Phenanthroline
125-33-7	P061+	KOX00834p	Primidone
130-86-9	P070+	KOX00836p	Protopine
3486-67-7	P071+	KOX00837p	Palmatine
82-82-6	P079-	KOX00839p	4-Pyridoxate
82-82-6	P079+	KOX00840p	4-Pyridoxate
550-33-4 9030-21-1	P081+	KOX00841p	Purine riboside
288-13-1	P095-	KOX00844p	Pyrazole
288-13-1	P095+	KOX00845p	Pyrazole
98-96-4	P098+	KOX00846p	Pyrazinamide
1452-77-3	P099+	KOX00847p	Picolinamide
1189-11-3	P105+	KOX00848p	Phosphoarginine
39809-25-1	P157+	KOX00851p	Penciclovir
23103-98-2	P177+	KOX00852p	Pirimicarb
40487-42-1	P183+	KOX00853p	Prowl (TM)
59-46-1	P190+	KOX00854p	Procaine
	P206+	KOX00857p	Phenoxybenzamine
	P209+	KOX00858p	Pentamidine
59-31-4	Q001+	KOX00859p	2(1H)-Quinolinone
91-22-5	Q008+	KOX00860p	Quinoline
124-20-9	S003+	KOX00861p	Spermidine
71-44-3	S011+	KOX00862p	Spermine
63-74-1	S016+	KOX00863p	Sulfanilamide
57-56-7	S034+	KOX00864p	Semicarbazide
51-34-3	S040+	KOX00865p	Scopolamine
50-67-9	S041+	KOX00866p	Serotonin
2447-54-3	S042+	KOX00867p	Sanguinarine
38194-50-2	S054+	KOX00869p	Sulindac
614-35-7	S058+	KOX00870p	Synephrine
51-67-2	T008+	KOX00872p	Tyramine
102-71-6	T022+	KOX00874p	Triethanolamine
	T028+	KOX00877p	Thiabendazole
	T030+	KOX00878p	Tolazoline
61-54-1	T031+	KOX00879p	Tryptamine
1080-06-4	T032+	KOX00880p	Tyrosine methyl ester
738-70-5	T033+	KOX00881p	Trimethoprim
10097-84-4	T041+	KOX00882p	Tetrahydropalmatine
26171-23-3	T044+	KOX00883p	Tolmetin
535-83-1	T060+	KOX00886p	Trigonelline
	T098+	KOX00888p	Timolol
117-89-5	T122+	KOX00890p	Trifluoperazine
65899-73-2	T123+	KOX00891p	Tioconazole
	T126+	KOX00892p	Terbutaline
58-96-8	U006+	KOX00893p	Uridine
51235-04-2	V020+	KOX00894p	Velpar
52-53-9	V021+	KOX00895p	Verapamil
14331-49-8	X012-	KOX00896p	Xanthopterin
14331-49-8	X012+	KOX00897p	Xanthopterin
102-32-9	D003-	KOX00898p	3,4-Dihydroxyphenylacetate
	D030-	KOX00899p	2,6-Diaminoheptanedioate
88-21-1	M131-	KOX00901p	Metanilate
54965-21-8	A082+	KOX00902p	Albendazole
	A166+	KOX00904p	Acetohydrazide
111-26-2	H024+	KOX00908p	Hexylamine
78-81-9	I064+	KOX00909p	Isobutylamine
501-75-7	M022+	KOX00911p	1-Methylhistamine
494-97-3	N044+	KOX00912p	Nornicotine
289-95-2	P042+	KOX00913p	Pyrimidine
57-13-6	U005+	KOX00914p	Urea