Exact Mass: 301.0732

Exact Mass Matches: 301.0732

Found 94 metabolites which its exact mass value is equals to given mass value 301.0732, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Fenhexamid

N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide

C14H17Cl2NO2 (301.0636)


   

N-Amidino-scyllo-inosamine 4-phosphate

1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate; N-Amidino-scyllo-inosamine 4-phosphate

C7H16N3O8P (301.0675)


   

4-Nitrophenyl β-D-galactopyranoside

4-Nitrophenol-alpha-D-galactopyranoside

C12H15NO8 (301.0798)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels

   

2-Nitrophenyl a-D-galactopyranoside

2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol

C12H15NO8 (301.0798)


   

4-Nitrophenyl beta-D-glucopyranoside

2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol

C12H15NO8 (301.0798)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels

   

3,4-Dehydrochlorambucil

4-{4-[bis(2-chloroethyl)amino]phenyl}but-3-enoic acid

C14H17Cl2NO2 (301.0636)


   

2,5,7-trihydroxy-4'-methoxyisoflavanone

2,5-dihydroxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-olate

C16H13O6 (301.0712)


2,5,7-trihydroxy-4-methoxyisoflavanone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,5,7-trihydroxy-4-methoxyisoflavanone can be found in a number of food items such as rapini, medlar, endive, and sea-buckthornberry, which makes 2,5,7-trihydroxy-4-methoxyisoflavanone a potential biomarker for the consumption of these food products.

   
   

5-Methylcyanidin

2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxyflavylium

C16H13O6 (301.0712)


   

N-(2H-1,4-benzothiazin-3-yl)-4-fluorobenzohydrazide

N-(2H-1,4-benzothiazin-3-yl)-4-fluorobenzohydrazide

C15H12FN3OS (301.0685)


   
   
   
   
   

3,4-Dihydro-1-methoxy-5-(dimethylamino)-8-(methoxythio)-1H-2-benzothiopyran-6-ol

3,4-Dihydro-1-methoxy-5-(dimethylamino)-8-(methoxythio)-1H-2-benzothiopyran-6-ol

C13H19NO3S2 (301.0806)


   

4-Hydroxypyridyl-3-oic acid 4-O-glucopyranoside|4-hydroxypyridyn-3-oic acid 4-O-glucopyranoside

4-Hydroxypyridyl-3-oic acid 4-O-glucopyranoside|4-hydroxypyridyn-3-oic acid 4-O-glucopyranoside

C12H15NO8 (301.0798)


   

Fenhexamid

Fenhexamid

C14H17Cl2NO2 (301.0636)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3057

   

peonidin

peonidin

[C16H13O6]+ (301.0712)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   

3,4-Dehydrochlorambucil

3,4-Dehydrochlorambucil

C14H17Cl2NO2 (301.0636)


   

peonidin

peonidin

C16H13O6+ (301.0712)


An anthocyanidin cation that is flavylium bearing four hydroxy substituents at positions 3, 4, 5 and 7 as well as a methoxy substituent at position 3.

   

7-chloro-5-(2-fluorophenyl)-N-methyl-3H-1,4-benzodiazepin-2-amine

7-chloro-5-(2-fluorophenyl)-N-methyl-3H-1,4-benzodiazepin-2-amine

C16H13ClFN3 (301.0782)


   

1-[1-(PHENYLSULFONYL)INDOLE-2-YL]ETHANOL

1-[1-(PHENYLSULFONYL)INDOLE-2-YL]ETHANOL

C16H15NO3S (301.0773)


   

3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide

3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide

C15H15N3S2 (301.0707)


   

A-TOSYL-(4-METHOXYBENZYL) ISOCYANIDE

A-TOSYL-(4-METHOXYBENZYL) ISOCYANIDE

C16H15NO3S (301.0773)


   

4-Nitrophenyl α-D-mannopyranoside

4-Nitrophenyl α-D-mannopyranoside

C12H15NO8 (301.0798)


   

3-Nitrophenyl b-D-galactopyranoside

3-Nitrophenyl b-D-galactopyranoside

C12H15NO8 (301.0798)


   

4-nitrophenyl α-D-glucoside

4-Nitrophenyl alpha-D-glucopyranoside

C12H15NO8 (301.0798)


   

5-methoxy-1-(4-methylbenzenesulfonyl)-1H-indole

5-methoxy-1-(4-methylbenzenesulfonyl)-1H-indole

C16H15NO3S (301.0773)


   

ethyl N-[3-(dimethylcarbamoyl)pyridin-2-yl]sulfonylcarbamate

ethyl N-[3-(dimethylcarbamoyl)pyridin-2-yl]sulfonylcarbamate

C11H15N3O5S (301.0732)


   

(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-(3-NITROPHENOXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL

(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-(3-NITROPHENOXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL

C12H15NO8 (301.0798)


   

[(tert-Butoxycarbonyl)amino]ferrocene

[(tert-Butoxycarbonyl)amino]ferrocene

C15H19FeNO2 (301.0765)


   

4-nitrophenyl-beta-D-mannopyranoside

4-nitrophenyl-beta-D-mannopyranoside

C12H15NO8 (301.0798)


   

2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

C16H15NO3S (301.0773)


   

(Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid

(Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid

C11H15N3O5S (301.0732)


   

(3-benzyloxycarbonyl-5-nitrophenyl)boronic acid

(3-benzyloxycarbonyl-5-nitrophenyl)boronic acid

C14H12BNO6 (301.0758)


   

3-Nitrophenyl alpha-D-galactopyranoside

3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSIDE

C12H15NO8 (301.0798)


   

1-(ISOCYANO(TOSYL)METHYL)-2-METHOXYBENZENE

1-(ISOCYANO(TOSYL)METHYL)-2-METHOXYBENZENE

C16H15NO3S (301.0773)


   

4-Nitrophenyl α-D-galactopyranoside

4-nitrophenyl-alpha-D-galactopyranoside

C12H15NO8 (301.0798)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels

   

Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate

Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate

C14H16KNO4 (301.0716)


   

PNPG

4-Nitrophenyl beta-D-glucopyranoside

C12H15NO8 (301.0798)


   

7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid

7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid

C12H16ClN3O4 (301.0829)


   

2-(2-Aminothiazole-4-yl)-2-[2-(tert-butoxycarbonyl)-methoxyimino]acetic acid

2-(2-Aminothiazole-4-yl)-2-[2-(tert-butoxycarbonyl)-methoxyimino]acetic acid

C11H15N3O5S (301.0732)


   
   

4(1H)-Quinolinone,2,3-dihydro-1-[(4-methylphenyl)sulfonyl]-

4(1H)-Quinolinone,2,3-dihydro-1-[(4-methylphenyl)sulfonyl]-

C16H15NO3S (301.0773)


   

4-METHOXY-3-(MORPHOLIN-4-YLSULPHONYL)BENZENEBORONIC ACID

4-METHOXY-3-(MORPHOLIN-4-YLSULPHONYL)BENZENEBORONIC ACID

C11H16BNO6S (301.0791)


   

2-Nitrophenyl β-D-glucopyranoside

2-Nitrophenyl beta-D-glucopyranoside

C12H15NO8 (301.0798)


   

(4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid

(4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid

C14H12BNO6 (301.0758)


   

(1-Tosyl-1H-Indol-3-Yl)Methanol

(1-Tosyl-1H-Indol-3-Yl)Methanol

C16H15NO3S (301.0773)


   

Pramipexole dihydrochloride hydrate

Pramipexole dihydrochloride monohydrate

C10H21Cl2N3OS (301.0782)


D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D020011 - Protective Agents > D000975 - Antioxidants Pramipexole dihydrochloride hydrate is a selective and blood-brain barrier (BBB) penetrant dopamine D2-type receptor agonist, with Kis of 2.2 nM, 3.9 nM, 0.5 nM and 1.3 nM for D2-type receptor, D2, D3 and D4 receptors, respectively. Pramipexole dihydrochloride hydrate can be used for the research of Parkinson's disease (PD) and restless legs syndrome (RLS)[1][2][3].

   

(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C16H15NO3S (301.0773)


   

5-Chloro-2-((R)-5-methyl-[1,4]diazepan-1-yl)benzooxazole hydrochloride

5-Chloro-2-((R)-5-methyl-[1,4]diazepan-1-yl)benzooxazole hydrochloride

C13H17Cl2N3O (301.0749)


   

P-NITROPHENYL B-D-GALACTOFURANOSIDE

4-nitrophenyl beta-D-galactofuranoside

C12H15NO8 (301.0798)


   

A-TOSYL-(3-METHOXYBENZYL) ISOCYANIDE

A-TOSYL-(3-METHOXYBENZYL) ISOCYANIDE

C16H15NO3S (301.0773)


   

(4-Methoxy-3-(Morpholinosulfonyl)phenyl)boronic acid

(4-Methoxy-3-(Morpholinosulfonyl)phenyl)boronic acid

C11H16BNO6S (301.0791)


   

ONPG

2-Nitrophenyl-beta-D-galactopyranoside

C12H15NO8 (301.0798)


   

2-Nitrophenyl α-D-galactopyranoside

2-Nitrophenyl α-D-galactopyranoside

C12H15NO8 (301.0798)


   

4-Nitrophenylbeta-D-galactopyranoside

4-Nitrophenylbeta-D-galactopyranoside

C12H15NO8 (301.0798)


   

10-(3-Sulfopropyl)acridinium betaine

10-(3-Sulfopropyl)acridinium betaine

C16H15NO3S (301.0773)


   

(R)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine dihydrochloride hydrate

(R)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine dihydrochloride hydrate

C10H21Cl2N3OS (301.0782)


D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D020011 - Protective Agents > D000975 - Antioxidants

   

2-Nitrophenylgalactoside

2-Nitrophenylgalactoside

C12H15NO8 (301.0798)


   

o-Nitrophenyl-beta-D-galactopyranoside

o-Nitrophenyl-beta-D-galactopyranoside

C12H15NO8 (301.0798)


   

(E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid

(E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid

C14H17Cl2NO2 (301.0636)


D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds

   

Hydroxythiamine

Hydroxythiamine

C12H16ClN3O2S (301.0652)


D009676 - Noxae > D000963 - Antimetabolites

   

N-(1,3-dioxo-4-isoindolyl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide

N-(1,3-dioxo-4-isoindolyl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide

C14H11N3O5 (301.0699)


   

3-[[Cyclopropyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester

3-[[Cyclopropyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester

C16H15NO3S (301.0773)


   

5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C12H10F3N3O3 (301.0674)


   

2,5,7-trihydroxy-4'-methoxyisoflavanone

2,5-dihydroxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-olate

C16H13O6- (301.0712)


2,5,7-trihydroxy-4-methoxyisoflavanone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,5,7-trihydroxy-4-methoxyisoflavanone can be found in a number of food items such as rapini, medlar, endive, and sea-buckthornberry, which makes 2,5,7-trihydroxy-4-methoxyisoflavanone a potential biomarker for the consumption of these food products.

   

Hesperetin(1-)

Hesperetin(1-)

C16H13O6- (301.0712)


A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group.

   

N-acetyl-L-aspartyl-L-glutamate

N-acetyl-L-aspartyl-L-glutamate

C11H13N2O8-3 (301.0672)


D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D009676 - Noxae > D009498 - Neurotoxins D018926 - Anti-Allergic Agents D020011 - Protective Agents

   

(2R,3S)-2,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate

(2R,3S)-2,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate

C16H13O6- (301.0712)


   
   

4-(3-Acetyl-5-hydroxy-4-oxo-1,4-dihydronapthalen-2-yl)-3-oxobutanoate

4-(3-Acetyl-5-hydroxy-4-oxo-1,4-dihydronapthalen-2-yl)-3-oxobutanoate

C16H13O6- (301.0712)


   

(2S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate

(2S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate

C16H13O6- (301.0712)


   

2-(2,4,5-Trimethoxyphenyl)-1,3-benzothiazole

2-(2,4,5-Trimethoxyphenyl)-1,3-benzothiazole

C16H15NO3S (301.0773)


   

1-Carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium

1-Carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium

C15H13N2O5+ (301.0824)


   

2-[[1-Oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester

2-[[1-Oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester

C16H15NO3S (301.0773)


   

2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

C16H15NO3S (301.0773)


   

2-Pyrazinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester

2-Pyrazinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester

C14H11N3O5 (301.0699)


   

4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolamine

4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolamine

C15H15N3S2 (301.0707)


   

3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione

3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione

C15H15N3S2 (301.0707)


   

3-(3-chlorophenyl)azo-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

3-(3-chlorophenyl)azo-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

C14H12ClN5O (301.073)


   

CID 131834466

CID 131834466

C16H13O6 (301.0712)


   

CID 131834467

CID 131834467

C16H13O6 (301.0712)


   

1-[(4-Chlorophenyl)methyl]-5-methyl-3-(oxidoamino)indol-2-ol

1-[(4-Chlorophenyl)methyl]-5-methyl-3-(oxidoamino)indol-2-ol

C16H14ClN2O2- (301.0744)


   

1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate

1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate

C7H16N3O8P (301.0675)


   

Ac-Asp-Glu(3-)

Ac-Asp-Glu(3-)

C11H13N2O8 (301.0672)


A peptide anion obtained by deprotonation of the three carboxy groups of N-acetyl-Asp-Glu; major species at pH 7.3.

   

Dehydrochlorambucil

Dehydrochlorambucil

C14H17Cl2NO2 (301.0636)


   

Guanidinodeoxy-inositol phosphate

Guanidinodeoxy-inositol phosphate

C7H16N3O8P (301.0675)


   

5-(dimethylamino)-1-methoxy-8-(methoxysulfanyl)-3,4-dihydro-1h-2-benzothiopyran-6-ol

5-(dimethylamino)-1-methoxy-8-(methoxysulfanyl)-3,4-dihydro-1h-2-benzothiopyran-6-ol

C13H19NO3S2 (301.0806)


   

4-hydroxypyridyl-3-oicacid 4-o-glucopyrano-side

NA

C12H15NO8 (301.0798)


{"Ingredient_id": "HBIN010571","Ingredient_name": "4-hydroxypyridyl-3-oicacid 4-o-glucopyrano-side","Alias": "NA","Ingredient_formula": "C12H15NO8","Ingredient_Smile": "C1=CN=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10669","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

betain

NA

C16H15NO3S (301.0773)


{"Ingredient_id": "HBIN018162","Ingredient_name": "betain","Alias": "NA","Ingredient_formula": "C16H15NO3S","Ingredient_Smile": "C1=CC=C2C(=C1)C=C3C=CC=CC3=[N+]2CCCS(=O)(=O)[O-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23390","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyridine-3-carboxylic acid

4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyridine-3-carboxylic acid

C12H15NO8 (301.0798)


   

n-(1,1,1-trichlorodecan-2-yl)ethanimidic acid

n-(1,1,1-trichlorodecan-2-yl)ethanimidic acid

C12H22Cl3NO (301.0767)


   

4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyridine-3-carboxylic acid

4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyridine-3-carboxylic acid

C12H15NO8 (301.0798)