Exact Mass: 343.0854552

Exact Mass Matches: 343.0854552

Found 73 metabolites which its exact mass value is equals to given mass value 343.0854552, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

DIBOA-Glc

4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C14H17NO9 (343.09032720000005)


Isolated from seedlings of rye (Secale cereale), and sweet corn (Zea mays) and seeds of Acanthus mollis. DIBOA-Glc is found in many foods, some of which are rye, fats and oils, corn, and cereals and cereal products. DIBOA-Glc is found in cereals and cereal products. DIBOA-Glc is isolated from seedlings of rye (Secale cereale), and sweet corn (Zea mays) and seeds of Acanthus mollis.

   

Coenzyme B

3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid

C11H22NO7PS (343.0854552)


   

DHBOA-Glc

7-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C14H17NO9 (343.09032720000005)


Constituent of the roots of Coix lachryma-jobi (Jobs tears). (R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in tea, alcoholic beverages, and coffee and coffee products. DHBOA-Glc is found in alcoholic beverages. DHBOA-Glc is a constituent of the roots of Coix lachryma-jobi (Jobs tears).

   

HHPAA glucuronide

(2S,3S,4S,5R,6S)-6-{2-[(1,2-dihydroxyethylidene)amino]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylate

C14H17NO9 (343.09032720000005)


2-Hydroxy-N-(2-hydroxyphenyl)acetamide glucuronide (HHPAA glucuronide) is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 23681766).

   

Clothiapine

13-chloro-10-(4-methylpiperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaene

C18H18ClN3S (343.09098980000005)


N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Clothiapine, an atypical antipsychotic agent, shares with clozapine its strong antiserotonergic properties[1].

   

Phospholipase

2,4,6-Trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulphonamide

C16H16F3NO2S (343.08537920000003)


Phospholipase is a member of the class of compounds known as sulfanilides. Sulfanilides are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. Phospholipase is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phospholipase can be found in potato, which makes phospholipase a potential biomarker for the consumption of this food product. A phospholipase is an enzyme that hydrolyzes phospholipids into fatty acids and other lipophilic substances. There are four major classes, termed A, B, C and D, distinguished by the type of reaction which they catalyze: Phospholipase A Phospholipase A1 ‚Äì cleaves the SN-1 acyl chain . Phospholipase is a member of the class of compounds known as sulfanilides. Sulfanilides are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. Phospholipase is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phospholipase can be found in potato, which makes phospholipase a potential biomarker for the consumption of this food product. A phospholipase is an enzyme that hydrolyzes phospholipids into fatty acids and other lipophilic substances. There are four major classes, termed A, B, C and D, distinguished by the type of reaction which they catalyze: Phospholipase A Phospholipase A1 – cleaves the SN-1 acyl chain .

   

4-coumaroyl-3',4'-dihydroxyphenyllactate

4-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}benzen-1-olic acid

C18H15O7 (343.081774)


4-coumaroyl-3,4-dihydroxyphenyllactate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4-coumaroyl-3,4-dihydroxyphenyllactate can be found in a number of food items such as moth bean, pepper (c. chinense), pomes, and common chokecherry, which makes 4-coumaroyl-3,4-dihydroxyphenyllactate a potential biomarker for the consumption of these food products.

   

caffeoyl-4'-hydroxyphenyllactate

4-(2-Carboxy-2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)benzen-1-olic acid

C18H15O7 (343.081774)


Caffeoyl-4-hydroxyphenyllactate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Caffeoyl-4-hydroxyphenyllactate can be found in a number of food items such as purple mangosteen, spirulina, lemon grass, and soy bean, which makes caffeoyl-4-hydroxyphenyllactate a potential biomarker for the consumption of these food products.

   

DHBOA hexose

(2R)-7-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C14H17NO9 (343.09032720000005)


   

Coenzyme B

2-[(1-hydroxy-7-sulfanylheptylidene)amino]-3-(phosphonooxy)butanoic acid

C11H22NO7PS (343.0854552)


   
   

(2R)-2-O-beta-D-glucopyranosyl-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one|(2R)-2-O-??-D-Glucopyranosyl-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one

(2R)-2-O-beta-D-glucopyranosyl-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one|(2R)-2-O-??-D-Glucopyranosyl-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one

C14H17NO9 (343.09032720000005)


   

Red Violet 2RN Acid Anthraquinone

Red Violet 2RN Acid Anthraquinone

C21H13NO4 (343.08445380000006)


   

bromopride

bromopride

C14H22BrN3O2 (343.0895292)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Bromopride is a dopamine antagonist with prokinetic properties, widely used as an antiemetic.

   

C14H17NO9_(2S)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside

NCGC00385947-01_C14H17NO9_(2S)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside

C14H17NO9 (343.09032720000005)


   

C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside

NCGC00385507-01_C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside

C14H17NO9 (343.09032720000005)


   

DIBOA + O-Hex

DIBOA + O-Hex

C14H17NO9 (343.09032720000005)


Annotation level-3

   

DIBOA-Glc

4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C14H17NO9 (343.09032720000005)


   

DHBOA-Glc

7-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C14H17NO9 (343.09032720000005)


   

1-Anilino-9,10-dioxo-2-anthroic acid

1-Anilino-9,10-dioxo-2-anthroic acid

C21H13NO4 (343.08445380000006)


   
   
   

N-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C18H12F3N3O (343.0932418)


   

N-pyridin-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-pyridin-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C18H12F3N3O (343.0932418)


   

o-3M3FBS

2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C16H16F3NO2S (343.08537920000003)


   

tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate

tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate

C15H22BrNO3 (343.07829620000007)


   

6-Methoxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b] quinoline

6-Methoxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b] quinoline

C18H12F3N3O (343.0932418)


   

N-(3-NITRO-2-PYRIDINESULFENYL)-L-ASPARTIC ACID BETA-T-BUTYL ESTER

N-(3-NITRO-2-PYRIDINESULFENYL)-L-ASPARTIC ACID BETA-T-BUTYL ESTER

C13H17N3O6S (343.08380220000004)


   
   

ALLYL [3-(2-NITROBENZENESULFONAMIDO)PROPYL]CARBAMATE

ALLYL [3-(2-NITROBENZENESULFONAMIDO)PROPYL]CARBAMATE

C13H17N3O6S (343.08380220000004)


   

N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)benzamide

N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)benzamide

C21H13NO4 (343.08445380000006)


   

m-3M3FBS

m-3M3FBS

C16H16F3NO2S (343.08537920000003)


m-3M3FBS is a potent phospholipase C (PLC) activator. m-3M3FBS stimulates superoxide generation in human neutrophils, upregulates intracellular calcium concentration, and stimulates inositol phosphate generation in various cell lines. m-3M3FBS induces monocytic leukemia cell apoptosis[1][2][3].

   

[(2S,3S)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate

[(2S,3S)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate

C18H17NO4S (343.08782420000006)


   

2-chloro-4-(biphenyl-3-yl)-6-phenyl-1,3,5-triazine

2-chloro-4-(biphenyl-3-yl)-6-phenyl-1,3,5-triazine

C21H14ClN3 (343.08761940000005)


   

2-chloro-4-(biphenyl-4-yl)-6-phenyl-1,3,5-triazine

2-chloro-4-(biphenyl-4-yl)-6-phenyl-1,3,5-triazine

C21H14ClN3 (343.08761940000005)


   

2-[1,1-Biphenyl]-2-yl-4-chloro-6-phenyl-1,3,5-triazine

2-[1,1-Biphenyl]-2-yl-4-chloro-6-phenyl-1,3,5-triazine

C21H14ClN3 (343.08761940000005)


   

2-(1-Adamantyl)isoquinolinium bromide

2-(1-Adamantyl)isoquinolinium bromide

C19H22BrN (343.09355120000004)


   

ethyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate

ethyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate

C18H17NO4S (343.08782420000006)


   

1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione,formaldehyde,N-methylbenzenesulfonamide

1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione,formaldehyde,N-methylbenzenesulfonamide

C12H17N5O5S (343.09503520000004)


   

4-(4-CHLOROPHENYL)-2,2:6,2-TERPYRIDINE

4-(4-CHLOROPHENYL)-2,2:6,2-TERPYRIDINE

C21H14ClN3 (343.08761940000005)


   

3-[3-(1,3-Dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid

3-[3-(1,3-Dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid

C18H17NO4S (343.08782420000006)


   

Clotiapine

Clothiapine

C18H18ClN3S (343.09098980000005)


N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Clothiapine, an atypical antipsychotic agent, shares with clozapine its strong antiserotonergic properties[1].

   

Diboa-glucoside

(2R)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside

C14H17NO9 (343.09032720000005)


   

3,4,5-O-trimethyltricetin(1-)

3,4,5-O-trimethyltricetin(1-)

C18H15O7- (343.081774)


   

Caffeoyl-4-hydroxyphenyllactic acid

Caffeoyl-4-hydroxyphenyllactic acid

C18H15O7- (343.081774)


   

4-coumaroyl-3,4-dihydroxyphenyllactate

4-coumaroyl-3,4-dihydroxyphenyllactate

C18H15O7- (343.081774)


   

(2S)-6-carboxy-4-[(E)-2-(5,6-dihydroxy-2,3-dihydroindol-1-yl)ethenyl]-2,3-dihydropyridine-2-carboxylate

(2S)-6-carboxy-4-[(E)-2-(5,6-dihydroxy-2,3-dihydroindol-1-yl)ethenyl]-2,3-dihydropyridine-2-carboxylate

C17H15N2O6- (343.093007)


   

2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxyphenyl)propanoate

2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxyphenyl)propanoate

C18H15O7- (343.081774)


   
   

3-(3,4-dihydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanoate

3-(3,4-dihydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanoate

C18H15O7- (343.081774)


   
   

1-(4-Phenoxyphenyl)tetrahydro-1H-thieno[3,4-b]pyrrol-2(3H)-one 5,5-dioxide

1-(4-Phenoxyphenyl)tetrahydro-1H-thieno[3,4-b]pyrrol-2(3H)-one 5,5-dioxide

C18H17NO4S (343.08782420000006)


   

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide

C17H17N3OS2 (343.0812992)


   

3-amino-N-cyclopentyl-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarboxamide

3-amino-N-cyclopentyl-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarboxamide

C17H17N3OS2 (343.0812992)


   

(5Z)-3-(2-methylpropyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one

(5Z)-3-(2-methylpropyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one

C17H17N3OS2 (343.0812992)


   

4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

C17H14FN3O2S (343.0790716)


   

3,5-Dihydroxy-3,4,7-trimethoxyflavone(1-)

3,5-Dihydroxy-3,4,7-trimethoxyflavone(1-)

C18H15O7- (343.081774)


A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3,5-dihydroxy-3,4,7-trimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

N-[3-(1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl]acetamide

N-[3-(1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl]acetamide

C17H17N3OS2 (343.0812992)


   

4-Chloro-5-morpholin-4-yl-2-quinoxalin-2-ylpyridazin-3-one

4-Chloro-5-morpholin-4-yl-2-quinoxalin-2-ylpyridazin-3-one

C16H14ClN5O2 (343.0835974)


   

N-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

N-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

C16H13N3O6 (343.08043180000004)


   

1-S-[N-hydroxy-4-(methanesulfinyl)butanimidoyl]-1-thio-beta-D-glucopyranose

1-S-[N-hydroxy-4-(methanesulfinyl)butanimidoyl]-1-thio-beta-D-glucopyranose

C11H21NO7S2 (343.0759396)


   

Nevadensin-7-olate

Nevadensin-7-olate

C18H15O7- (343.081774)


   

desulfoglucoiberin

desulfoglucoiberin

C11H21NO7S2 (343.0759396)


A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-(methylsulfinyl)butanethioamide with beta-D-glucopyranose.

   

(2s,3r,4s,5s,6r)-2-{[(2s)-3,6-dihydroxy-2h-1,4-benzoxazin-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s)-3,6-dihydroxy-2h-1,4-benzoxazin-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C14H17NO9 (343.09032720000005)


   

2,4-dihydroxy-1,4-benzoxazin-3-one-2-o-β-d-glucopyranoside

NA

C14H17NO9 (343.09032720000005)


{"Ingredient_id": "HBIN004312","Ingredient_name": "2,4-dihydroxy-1,4-benzoxazin-3-one-2-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C14H17NO9","Ingredient_Smile": "C1=CC=C2C(=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2r)-2-o-β-d-glucopyranosyl-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one

NA

C14H17NO9 (343.09032720000005)


{"Ingredient_id": "HBIN006384","Ingredient_name": "(2r)-2-o-\u03b2-d-glucopyranosyl-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one","Alias": "NA","Ingredient_formula": "C14H17NO9","Ingredient_Smile": "C1=CC=C2C(=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8665","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

6-hydroxy blepharin

NA

C14H17NO9 (343.09032720000005)


{"Ingredient_id": "HBIN012420","Ingredient_name": "6-hydroxy blepharin","Alias": "NA","Ingredient_formula": "C14H17NO9","Ingredient_Smile": "C1=CC2=C(C=C1O)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9857","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   
   

2-(4-{3h-pyrrolo[2,3-c]quinolin-4-yl}-1,3-thiazol-2-yl)phenol

2-(4-{3h-pyrrolo[2,3-c]quinolin-4-yl}-1,3-thiazol-2-yl)phenol

C20H13N3OS (343.07792880000005)


   

2-[(3,6-dihydroxy-2h-1,4-benzoxazin-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(3,6-dihydroxy-2h-1,4-benzoxazin-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H17NO9 (343.09032720000005)


   

(2r)-4-hydroxy-2-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,4-benzoxazin-3-one

(2r)-4-hydroxy-2-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,4-benzoxazin-3-one

C14H17NO9 (343.09032720000005)