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Showing metabocard for Tropine (HMDB0259297)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 21:49:01 UTC
Update Date2021-09-26 23:16:45 UTC
HMDB IDHMDB0259297
Secondary Accession NumbersNone
Metabolite Identification
Common NameTropine
Descriptiontropine belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane. tropine exists in all living organisms, ranging from bacteria to humans. tropine has been detected, but not quantified in, several different foods, such as japanese chestnuts (Castanea crenata), orange mints (Mentha aquatica), tea leaf willows (Salix pulchra), broccolis (Brassica oleracea var. italica), and muscadine grapes (Vitis rotundifolia). This could make tropine a potential biomarker for the consumption of these foods. tropine 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 very few articles have been published on tropine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Tropine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Tropine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0259297 (Tropine)


  Mrv0541 09041212362D          

 10 11  0  0  0  0            999 V2000
    0.0773    0.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1197   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113   -0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396   -0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1275   -1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4999   -0.1173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5393   -2.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
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3D MOL for HMDB0259297 (Tropine)

HMDB0259297
     RDKit          3D
Tropine
 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.9514   -1.1503   -1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.6306   -0.5650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3052    0.6184   -1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7812    1.6294   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8017    0.8631    1.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5687   -0.5610    0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243   -0.8417    1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537   -0.4696   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120   -0.0473    0.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    0.6203   -0.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6923   -1.2372   -0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100   -0.6341   -1.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7717   -2.2207   -1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6663    0.9108   -2.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0558    2.4626   -0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7622    2.0633   -0.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170    1.2283    1.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7925    1.0037    1.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2074   -1.2649    1.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9842   -1.9507    1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2394   -0.3839    2.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9811   -1.3626   -0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2195   -0.7224    1.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5684    0.4475   -2.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5913    1.6296   -0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  6  2  1  0
 10  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
M  END
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3D SDF for HMDB0259297 (Tropine)


  Mrv0541 09041212362D          

 10 11  0  0  0  0            999 V2000
    0.0773    0.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1197   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113   -0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396   -0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1275   -1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4999   -0.1173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5393   -2.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0259297

> <DATABASE_NAME>
hmdb

> <SMILES>
CN1C2CCC1CC(O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3

> <INCHI_KEY>
CYHOMWAPJJPNMW-UHFFFAOYSA-N

> <FORMULA>
C8H15NO

> <MOLECULAR_WEIGHT>
141.2108

> <EXACT_MASS>
141.115364107

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
16.122338005782538

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8-methyl-8-azabicyclo[3.2.1]octan-3-ol

> <ALOGPS_LOGP>
0.86

> <JCHEM_LOGP>
0.03356066499999985

> <ALOGPS_LOGS>
0.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.160811554696018

> <JCHEM_PKA_STRONGEST_BASIC>
9.695886905323272

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
40.5938

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.45e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tropin

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0259297 (Tropine)

HMDB0259297
     RDKit          3D
Tropine
 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.9514   -1.1503   -1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.6306   -0.5650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3052    0.6184   -1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7812    1.6294   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8017    0.8631    1.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5687   -0.5610    0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243   -0.8417    1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537   -0.4696   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120   -0.0473    0.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    0.6203   -0.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6923   -1.2372   -0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100   -0.6341   -1.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7717   -2.2207   -1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6663    0.9108   -2.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0558    2.4626   -0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7622    2.0633   -0.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170    1.2283    1.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7925    1.0037    1.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2074   -1.2649    1.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9842   -1.9507    1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2394   -0.3839    2.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9811   -1.3626   -0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2195   -0.7224    1.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5684    0.4475   -2.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5913    1.6296   -0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  6  2  1  0
 10  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
M  END
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PDB for HMDB0259297 (Tropine)

HEADER    PROTEIN                                 04-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2    3    6                                                       
CONECT    3    2    7                                                       
CONECT    4    6    8                                                       
CONECT    5    7    8                                                       
CONECT    6    2    4    9                                                  
CONECT    7    3    5    9                                                  
CONECT    8    4    5   10                                                  
CONECT    9    1    6    7                                                  
CONECT   10    8                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   22    0
END
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3D PDB for HMDB0259297 (Tropine)

COMPND    HMDB0259297
HETATM    1  C1  UNL     1      -1.951  -1.150  -1.043  1.00  0.00           C  
HETATM    2  N1  UNL     1      -0.746  -0.631  -0.565  1.00  0.00           N  
HETATM    3  C2  UNL     1      -0.305   0.618  -1.053  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.781   1.629  -0.016  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.802   0.863   1.278  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.569  -0.561   0.841  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.924  -0.842   1.068  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.754  -0.470  -0.107  1.00  0.00           C  
HETATM    9  O1  UNL     1       3.012  -0.047   0.386  1.00  0.00           O  
HETATM   10  C8  UNL     1       1.221   0.620  -0.958  1.00  0.00           C  
HETATM   11  H1  UNL     1      -2.692  -1.237  -0.210  1.00  0.00           H  
HETATM   12  H2  UNL     1      -2.410  -0.634  -1.896  1.00  0.00           H  
HETATM   13  H3  UNL     1      -1.772  -2.221  -1.361  1.00  0.00           H  
HETATM   14  H4  UNL     1      -0.666   0.911  -2.036  1.00  0.00           H  
HETATM   15  H5  UNL     1      -0.056   2.463  -0.009  1.00  0.00           H  
HETATM   16  H6  UNL     1      -1.762   2.063  -0.274  1.00  0.00           H  
HETATM   17  H7  UNL     1       0.017   1.228   1.933  1.00  0.00           H  
HETATM   18  H8  UNL     1      -1.793   1.004   1.768  1.00  0.00           H  
HETATM   19  H9  UNL     1      -1.207  -1.265   1.375  1.00  0.00           H  
HETATM   20  H10 UNL     1       0.984  -1.951   1.204  1.00  0.00           H  
HETATM   21  H11 UNL     1       1.239  -0.384   2.018  1.00  0.00           H  
HETATM   22  H12 UNL     1       1.981  -1.363  -0.733  1.00  0.00           H  
HETATM   23  H13 UNL     1       3.219  -0.722   1.109  1.00  0.00           H  
HETATM   24  H14 UNL     1       1.568   0.448  -2.019  1.00  0.00           H  
HETATM   25  H15 UNL     1       1.591   1.630  -0.699  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    6
CONECT    3    4   10   14
CONECT    4    5   15   16
CONECT    5    6   17   18
CONECT    6    7   19
CONECT    7    8   20   21
CONECT    8    9   10   22
CONECT    9   23
CONECT   10   24   25
END
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SMILES for HMDB0259297 (Tropine)

CN1C2CCC1CC(O)C2
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INCHI for HMDB0259297 (Tropine)

InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Tropine hydrobromide, (endo)-isomerMeSH
Tropine hydrochloride, (endo)-isomerMeSH
Tropine hydrochloride, (exo)-isomerMeSH
Tropine, (exo)-isomerMeSH
PseudotropineMeSH
Chemical FormulaC8H15NO
Average Molecular Weight141.2108
Monoisotopic Molecular Weight141.115364107
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octan-3-ol
Traditional Nametropin
CAS Registry NumberNot Available
SMILES
CN1C2CCC1CC(O)C2
InChI Identifier
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
InChI KeyCYHOMWAPJJPNMW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane.
KingdomOrganic compounds
Super ClassAlkaloids and derivatives
ClassTropane alkaloids
Sub ClassNot Available
Direct ParentTropane alkaloids
Alternative Parents
Substituents
  • Tropane alkaloid
  • Piperidine
  • N-alkylpyrrolidine
  • Cyclic alcohol
  • Pyrrolidine
  • Secondary alcohol
  • Tertiary amine
  • Tertiary aliphatic amine
  • Azacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Amine
  • Alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
Process
Naturally occurring process
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.86ALOGPS
logP0.034ChemAxon
logS0.66ALOGPS
pKa (Strongest Acidic)15.16ChemAxon
pKa (Strongest Basic)9.7ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area23.47 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity40.59 m³·mol⁻¹ChemAxon
Polarizability16.12 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+132.86430932474
DeepCCS[M-H]-130.56830932474
DeepCCS[M-2H]-166.29330932474
DeepCCS[M+Na]+141.14430932474
AllCCS[M+H]+134.132859911
AllCCS[M+H-H2O]+129.632859911
AllCCS[M+NH4]+138.332859911
AllCCS[M+Na]+139.532859911
AllCCS[M-H]-131.332859911
AllCCS[M+Na-2H]-132.832859911
AllCCS[M+HCOO]-134.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
TropineCN1C2CCC1CC(O)C21959.4Standard polar33892256
TropineCN1C2CCC1CC(O)C21169.5Standard non polar33892256
TropineCN1C2CCC1CC(O)C21213.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Tropine GC-MS (1 TMS)splash10-001i-9300000000-53efac058072955604e42014-06-16HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tropine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9400000000-dfe0193a35bdbffb26a62021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tropine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tropine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tropine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 10V, Positive-QTOFsplash10-00dl-0900000000-8a649caf46d3126c03d72015-05-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 20V, Positive-QTOFsplash10-00dl-0900000000-56f92294a544afac71e52015-05-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 40V, Positive-QTOFsplash10-059t-9600000000-d00b1dd715553a312ba22015-05-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 10V, Positive-QTOFsplash10-00dl-0900000000-8a649caf46d3126c03d72015-05-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 20V, Positive-QTOFsplash10-00dl-0900000000-56f92294a544afac71e52015-05-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 40V, Positive-QTOFsplash10-059t-9600000000-d00b1dd715553a312ba22015-05-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 10V, Negative-QTOFsplash10-0006-0900000000-45d4764025931344d8622015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 20V, Negative-QTOFsplash10-0006-0900000000-23759a28c20cc42b64932015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 40V, Negative-QTOFsplash10-03l3-7900000000-65a2919f8cee8b9de7452015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 10V, Negative-QTOFsplash10-0006-0900000000-45d4764025931344d8622015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 20V, Negative-QTOFsplash10-0006-0900000000-23759a28c20cc42b64932015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tropine 40V, Negative-QTOFsplash10-03l3-7900000000-65a2919f8cee8b9de7452015-05-27Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031230
KNApSAcK IDC00002301
Chemspider ID13871816
KEGG Compound IDC02066
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTropine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]