Exact Mass: 301.0675

Exact Mass Matches: 301.0675

Found 98 metabolites which its exact mass value is equals to given mass value 301.0675, 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)


   

2-Chloroadenosine

2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H12ClN5O4 (301.0578)


   

3,4-Dehydrochlorambucil

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

C14H17Cl2NO2 (301.0636)


   

8-Chloroadenosine

2-(6-amino-8-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H12ClN5O4 (301.0578)


   

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)


   
   
   
   
   
   

CHEMBL2419350

CHEMBL2419350

C15H11NO6 (301.0586)


   

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.

   

2-Chloroadenosine

2-Chloroadenosine

C10H12ClN5O4 (301.0578)


2-Chloroadenosine, a stable adenosine analogue, protects against long term development of ischaemic cell loss in the rat hippocampus. 2-Chloroadenosine is an apparent competitive inhibitor of uridine influx (apparent Ki=33 μM) and high-affinity nitrobenzylthioinosine binding (apparent Ki=0.18 mM). 2-Chloroadenosine is a transported permeant for the nucleoside transporter in human erythrocytes[1][2].

   

3-Hydroxy-7-aminoclonazepam

3-Hydroxy-7-aminoclonazepam

C15H12ClN3O2 (301.0618)


   

4-Aminophenyl 1-thio-β-D-glucuronide

4-Aminophenyl 1-thio-β-D-glucuronide

C12H15NO6S (301.062)


   

2-CADO

(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

C10H12ClN5O4 (301.0578)


2-Chloroadenosine, a stable adenosine analogue, protects against long term development of ischaemic cell loss in the rat hippocampus. 2-Chloroadenosine is an apparent competitive inhibitor of uridine influx (apparent Ki=33 μM) and high-affinity nitrobenzylthioinosine binding (apparent Ki=0.18 mM). 2-Chloroadenosine is a transported permeant for the nucleoside transporter in human erythrocytes[1][2].

   

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.

   

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

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

C16H15NO3S (301.0773)


   

4-(2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYLAMINO)-BUTYRIC ACID

4-(2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYLAMINO)-BUTYRIC ACID

C12H15NO6S (301.062)


   

4-[(1,3-dioxybutyl)amino]-5-methoxy-2-methyl-benzenesulfonic acid

4-[(1,3-dioxybutyl)amino]-5-methoxy-2-methyl-benzenesulfonic acid

C12H15NO6S (301.062)


   

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)


   

N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid

N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid

C12H15NO6S (301.062)


   

1-Benzenesulfonyl-1h-indole-7-boronic acid

1-Benzenesulfonyl-1h-indole-7-boronic acid

C14H12BNO4S (301.058)


   

ethyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate

ethyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate

C15H12ClN3O2 (301.0618)


   

sodium,2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate,prop-2-enoic acid

sodium,2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate,prop-2-enoic acid

C10H16NNaO6S (301.0596)


   

A-TOSYL-(4-METHOXYBENZYL) ISOCYANIDE

A-TOSYL-(4-METHOXYBENZYL) ISOCYANIDE

C16H15NO3S (301.0773)


   

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

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

C16H15NO3S (301.0773)


   

1-Benzenesulfonyl-1H-indole-3-boronic acid

1-Benzenesulfonyl-1H-indole-3-boronic acid

C14H12BNO4S (301.058)


   

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

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

C11H15N3O5S (301.0732)


   

[(tert-Butoxycarbonyl)amino]ferrocene

[(tert-Butoxycarbonyl)amino]ferrocene

C15H19FeNO2 (301.0765)


   

(1-(PHENYLSULFONYL)-1H-INDOL-5-YL)BORONIC ACID

(1-(PHENYLSULFONYL)-1H-INDOL-5-YL)BORONIC ACID

C14H12BNO4S (301.058)


   

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)


   

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

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

C16H15NO3S (301.0773)


   

1-(phenylsulfonyl)-2-indoleboronic acid

1-(phenylsulfonyl)-2-indoleboronic acid

C14H12BNO4S (301.058)


   

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)


   

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)


   

6-Chloroguanineriboside

6-Chloroguanineriboside

C10H12ClN5O4 (301.0578)


6-Chloroguanineriboside (6-Chloroguanosine) is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

   

2-Methoxy-5-(morpholine-4-sulfonyl)-benzoic acid

2-Methoxy-5-(morpholine-4-sulfonyl)-benzoic acid

C12H15NO6S (301.062)


   
   

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

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

C16H15NO3S (301.0773)


   

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-cyanoacetamide

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-cyanoacetamide

C15H12ClN3O2 (301.0618)


   

DIMETHYL 5-(N-METHYLMETHYLSULFONAMIDO)ISOPHTHALATE

DIMETHYL 5-(N-METHYLMETHYLSULFONAMIDO)ISOPHTHALATE

C12H15NO6S (301.062)


   

(4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid

(4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid

C14H12BNO6 (301.0758)


   

(1-(PHENYLSULFONYL)-1H-INDOL-6-YL)BORONIC ACID

(1-(PHENYLSULFONYL)-1H-INDOL-6-YL)BORONIC ACID

C14H12BNO4S (301.058)


   

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

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

C16H15NO3S (301.0773)


   

8-Chloroadenosine

8-Chloroadenosine

C10H12ClN5O4 (301.0578)


8-Chloroadenosine (8-Cl-Ado), a unique ribonucleoside analog, depletes endogenous ATP that subsequently induces the phosphorylation and activation of AMPK. 8-Chloroadenosine induces autophagic cell death. 8-Chloroadenosine effectively inhibited in vivo tumor growth in mice[1]. 8-Chloroadenosine (8-Cl-Ado), a unique ribonucleoside analog, depletes endogenous ATP that subsequently induces the phosphorylation and activation of AMPK. 8-Chloroadenosine induces autophagic cell death. 8-Chloroadenosine effectively inhibited in vivo tumor growth in mice[1].

   

(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)


   

A-TOSYL-(3-METHOXYBENZYL) ISOCYANIDE

A-TOSYL-(3-METHOXYBENZYL) ISOCYANIDE

C16H15NO3S (301.0773)


   
   

(1-(Phenylsulfonyl)-1H-indol-4-yl)boronic acid

(1-(Phenylsulfonyl)-1H-indol-4-yl)boronic acid

C14H12BNO4S (301.058)


   

10-(3-Sulfopropyl)acridinium betaine

10-(3-Sulfopropyl)acridinium betaine

C16H15NO3S (301.0773)


   

9-(b-D-Arabinofuranosyl)-8-chloroadenine

9-(b-D-Arabinofuranosyl)-8-chloroadenine

C10H12ClN5O4 (301.0578)


   
   

(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

   

8-Chloro-2-deoxyguanosine

8-Chloro-2-deoxyguanosine

C10H12ClN5O4 (301.0578)


   

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)


   

Tazobactam trans-enamine intermediate

Tazobactam trans-enamine intermediate

C10H13N4O5S- (301.0607)


   

Tazobactam intermediate

Tazobactam intermediate

C10H13N4O5S- (301.0607)


   

8-Chloroadenosine

2-(6-amino-8-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H12ClN5O4 (301.0578)


Calamene is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Calamene is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Calamene can be found in a number of food items such as common oregano, star anise, german camomile, and sweet bay, which makes calamene a potential biomarker for the consumption of these food products.

   

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-hydroxy-6-methyl-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]pyran-4-one

2-hydroxy-6-methyl-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]pyran-4-one

C15H11NO6 (301.0586)


   

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

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

C16H15NO3S (301.0773)


   

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)


   

4-Aminophenyl 1-thio-beta-D-glucuronide

4-Aminophenyl 1-thio-beta-D-glucuronide

C12H15NO6S (301.062)


   

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)


   

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"}

   

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

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

C12H22Cl3NO (301.0767)


   

7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid

7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid

C15H11NO6 (301.0586)