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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2023-02-21 17:15:35 UTC

HMDB ID

HMDB0001297

Secondary Accession Numbers

HMDB01297

Metabolite Identification

Common Name

Norcotinine

Description

Norcotinine belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. In humans, norcotinine is involved in the nicotine metabolism pathway. Norcotinine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make norcotinine a potential biomarker for the consumption of these foods. Norcotinine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on Norcotinine.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      23.827 -22.162   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      23.827 -20.622   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      22.493 -22.932   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      21.159 -20.622   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      23.739 -17.407   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      23.263 -15.942   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      22.493 -19.852   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      22.493 -18.312   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      21.723 -15.942   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      21.159 -22.162   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      21.247 -17.407   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0      20.818 -14.697   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    7                                                       
CONECT    3    1   10                                                       
CONECT    4    7   10                                                       
CONECT    5    6    8                                                       
CONECT    6    5    9                                                       
CONECT    7    2    4    8                                                  
CONECT    8    5    7   11                                                  
CONECT    9    6   11   12                                                  
CONECT   10    3    4                                                       
CONECT   11    8    9                                                       
CONECT   12    9                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   26    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(RS)-Norcotinine	HMDB
5-(3-Pyridinyl)-2-pyrrolidinone	HMDB
Demethylcotinine	HMDB
Norcotinine, (+-)-isomer	MeSH, HMDB
Norcotinine, (R)-isomer	MeSH, HMDB
Norcotinine, (S)-isomer	MeSH, HMDB

Chemical Formula

C₉H₁₀N₂O

Average Molecular Weight

162.1885

Monoisotopic Molecular Weight

162.079312952

IUPAC Name

5-(pyridin-3-yl)pyrrolidin-2-one

Traditional Name

5-pyridin-3-ylpyrrolidin-2-one

CAS Registry Number

17114-40-8

SMILES

O=C1CCC(N1)C1=CN=CC=C1

InChI Identifier

InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)

InChI Key

FXFANIORDKRCCA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Not Available

Direct Parent

Pyridines and derivatives

Alternative Parents

Substituents

Pyridine
Heteroaromatic compound
Cyclic carboximidic acid
Pyrroline
Lactim
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

a secondary metabolite (CPD-2749 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 8294547)

Cellular substructure

Organ

Liver (HMDB: HMDB0001297)
Kidney (HMDB: HMDB0001297)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0001297)

Source

Endogenous

Endogenous (HMDB: HMDB0001297)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Nicotine Metabolism Pathway (HMDB: HMDB0001297)
Nicotine Metabolism Pathway (PathBank: SMP0000628)

Drug action pathway

Nicotine Action Pathway (HMDB: HMDB0001297)
Nicotine Action Pathway (PathBank: SMP0000431)

Role

Biological role

Drug metabolite (HMDB: HMDB0001297)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	12.9 g/L	ALOGPS
logP	0.13	ALOGPS
logP	-0.013	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	13.76	ChemAxon
pKa (Strongest Basic)	4.79	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	41.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	44.38 m³·mol⁻¹	ChemAxon
Polarizability	16.72 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	137.258	31661259
DarkChem	[M-H]-	132.71	31661259
AllCCS	[M+H]+	135.464	32859911
AllCCS	[M-H]-	136.374	32859911
DeepCCS	[M+H]+	135.014	30932474
DeepCCS	[M-H]-	132.142	30932474
DeepCCS	[M-2H]-	168.747	30932474
DeepCCS	[M+Na]+	144.242	30932474
AllCCS	[M+H]+	135.5	32859911
AllCCS	[M+H-H2O]+	130.8	32859911
AllCCS	[M+NH4]+	139.8	32859911
AllCCS	[M+Na]+	141.1	32859911
AllCCS	[M-H]-	136.4	32859911
AllCCS	[M+Na-2H]-	137.0	32859911
AllCCS	[M+HCOO]-	137.8	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	2.7 minutes	32390414
Predicted by Siyang on May 30, 2022	8.3942 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	2.17 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	73.5 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	673.6 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	264.1 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	82.4 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	160.3 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	43.7 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	234.7 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	252.9 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	108.7 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	569.1 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	37.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	692.8 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	162.7 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	181.2 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	456.7 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	342.6 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	190.4 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Norcotinine	O=C1CCC(N1)C1=CN=CC=C1	2481.8	Standard polar	33892256
Norcotinine	O=C1CCC(N1)C1=CN=CC=C1	1568.0	Standard non polar	33892256
Norcotinine	O=C1CCC(N1)C1=CN=CC=C1	1842.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Norcotinine,1TMS,isomer #1	C[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1	1677.3	Semi standard non polar	33892256
Norcotinine,1TMS,isomer #1	C[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1	1687.4	Standard non polar	33892256
Norcotinine,1TMS,isomer #1	C[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1	2184.0	Standard polar	33892256
Norcotinine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1	1930.2	Semi standard non polar	33892256
Norcotinine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1	1942.6	Standard non polar	33892256
Norcotinine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1	2340.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Norcotinine GC-MS (Non-derivatized) - 70eV, Positive	splash10-06rx-6900000000-7167061e9fe9558a0456	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Norcotinine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 10V, Positive-QTOF	splash10-03di-0900000000-6b212cf317cd02f3fb27	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 20V, Positive-QTOF	splash10-03dj-1900000000-47e1891277a98c78b7d8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 40V, Positive-QTOF	splash10-0v0u-9400000000-a2be02f0fbf088451120	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 10V, Negative-QTOF	splash10-03di-0900000000-f03246b316270169b004	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 20V, Negative-QTOF	splash10-03di-1900000000-9816a6273230e64c8a15	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 40V, Negative-QTOF	splash10-0006-9400000000-94d564ccce13bc3f2793	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 10V, Negative-QTOF	splash10-03di-0900000000-68b80ae98d7436c26dac	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 20V, Negative-QTOF	splash10-03di-3900000000-dc0d7910e90353c87b8a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 40V, Negative-QTOF	splash10-002f-9300000000-c6cdc7817919d9ca67b2	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 10V, Positive-QTOF	splash10-03di-0900000000-d99f4e50b73cef46d299	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 20V, Positive-QTOF	splash10-03di-1900000000-2a1c38a43f8c2aa32179	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Norcotinine 40V, Positive-QTOF	splash10-00mo-9100000000-60ef78843c02c161575c	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Name	SMPDB/PathBank	KEGG
Nicotine Action Pathway		Not Available
Nicotine Metabolism Pathway		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.051 +/- 0.017 uM	Adult (>18 years old)	Both	Smoking	8294547	details

Associated Disorders and Diseases

Disease References

Smoking
Zuccaro P, Altieri I, Rosa M, Passa AR, Pichini S, Ricciarello G, Pacifici R: Determination of nicotine and four metabolites in the serum of smokers by high-performance liquid chromatography with ultraviolet detection. J Chromatogr. 1993 Nov 24;621(2):257-61. [PubMed:8294547 ]

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022540

KNApSAcK ID

Not Available

Chemspider ID

400

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6142

PubChem Compound

413

PDB ID

Not Available

ChEBI ID

89406

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Dewey, Lovell J. Metabolites of nicotine and a synthesis of nornicotine. Journal of the American Chemical Society (1958), 80 1634-6.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Zuccaro P, Altieri I, Rosa M, Passa AR, Pichini S, Ricciarello G, Pacifici R: Determination of nicotine and four metabolites in the serum of smokers by high-performance liquid chromatography with ultraviolet detection. J Chromatogr. 1993 Nov 24;621(2):257-61. [PubMed:8294547 ]
Kyerematen GA, Morgan ML, Chattopadhyay B, deBethizy JD, Vesell ES: Disposition of nicotine and eight metabolites in smokers and nonsmokers: identification in smokers of two metabolites that are longer lived than cotinine. Clin Pharmacol Ther. 1990 Dec;48(6):641-51. [PubMed:2249376 ]
McManus KT, deBethizy JD, Garteiz DA, Kyerematen GA, Vesell ES: A new quantitative thermospray LC-MS method for nicotine and its metabolites in biological fluids. J Chromatogr Sci. 1990 Oct;28(10):510-6. [PubMed:2246349 ]
Kim I, Huestis MA: A validated method for the determination of nicotine, cotinine, trans-3'-hydroxycotinine, and norcotinine in human plasma using solid-phase extraction and liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry. J Mass Spectrom. 2006 Jun;41(6):815-21. [PubMed:16705667 ]

Showing metabocard for Norcotinine (HMDB0001297)

MOL for HMDB0001297 (Norcotinine)

3D MOL for HMDB0001297 (Norcotinine)

3D SDF for HMDB0001297 (Norcotinine)

3D-SDF for HMDB0001297 (Norcotinine)

PDB for HMDB0001297 (Norcotinine)

3D PDB for HMDB0001297 (Norcotinine)

SMILES for HMDB0001297 (Norcotinine)

INCHI for HMDB0001297 (Norcotinine)

Structure for HMDB0001297 (Norcotinine)

3D Structure for HMDB0001297 (Norcotinine)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra