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Showing metabocard for 2-Methylquinoline (HMDB0302391)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 17:25:55 UTC
Update Date2021-09-23 17:25:55 UTC
HMDB IDHMDB0302391
Secondary Accession NumbersNone
Metabolite Identification
Common Name2-Methylquinoline
Description2-methylquinoline is a member of the class of compounds known as hydroquinolines. Hydroquinolines are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. 2-methylquinoline is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-methylquinoline can be found in tea, which makes 2-methylquinoline a potential biomarker for the consumption of this food product. Quinaldine or 2-methylquinoline is an organic compound with the formula CH3C9H6N. It is one of the methyl derivative of a heterocyclic compound quinoline. It is bioactive and is used in the preparation of various dyes. It is a colorless oil but commercial samples can be colored .
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302391 (2-Methylquinoline)


  Mrv0541 02241221242D          

 12 13  0  0  0  0            999 V2000
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
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3D MOL for HMDB0302391 (2-Methylquinoline)

HMDB0302391
     RDKit          3D
2-Methylquinoline
 21 22  0  0  0  0  0  0  0  0999 V2000
    3.2934   -0.5471   -0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8822   -0.0701   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660    1.2585    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545    1.6768    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1421    3.2442    0.4438 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847    0.7687    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099    1.1430    0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1267    0.2199    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8015   -1.1089   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4741   -1.4671   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -0.5529   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8592   -0.9416   -0.1667 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    0.2147   -0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652   -0.8638    0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967   -1.4316   -0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.9811    0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457    2.1927    0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1558    0.5547    0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6169   -1.8197   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090   -2.5144   -0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725   -1.9373   -0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  2  1  0
 11  6  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 12 21  1  0
M  END
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3D SDF for HMDB0302391 (2-Methylquinoline)


  Mrv0541 02241221242D          

 12 13  0  0  0  0            999 V2000
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302391

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CC(=S)C2=CC=CC=C2N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)

> <INCHI_KEY>
FQKLIBNGRKRDCL-UHFFFAOYSA-N

> <FORMULA>
C10H9NS

> <MOLECULAR_WEIGHT>
175.25

> <EXACT_MASS>
175.045569983

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.289412349324508

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-methyl-1,4-dihydroquinoline-4-thione

> <ALOGPS_LOGP>
1.84

> <JCHEM_LOGP>
2.391872246666667

> <ALOGPS_LOGS>
-3.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.117074658119751

> <JCHEM_PKA_STRONGEST_BASIC>
0.12132385632567733

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
58.82870000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.73e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-1H-quinoline-4-thione

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302391 (2-Methylquinoline)

HMDB0302391
     RDKit          3D
2-Methylquinoline
 21 22  0  0  0  0  0  0  0  0999 V2000
    3.2934   -0.5471   -0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8822   -0.0701   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660    1.2585    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545    1.6768    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1421    3.2442    0.4438 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847    0.7687    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099    1.1430    0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1267    0.2199    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8015   -1.1089   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4741   -1.4671   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -0.5529   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8592   -0.9416   -0.1667 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    0.2147   -0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652   -0.8638    0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967   -1.4316   -0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.9811    0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457    2.1927    0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1558    0.5547    0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6169   -1.8197   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090   -2.5144   -0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725   -1.9373   -0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  2  1  0
 11  6  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 12 21  1  0
M  END
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PDB for HMDB0302391 (2-Methylquinoline)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  S   UNK     0       2.667   1.540   0.000  0.00  0.00           S+0
HETATM    6  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       2.667  -3.080   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   12                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    6   12                                                  
CONECT   12   11    2                                                       
MASTER        0    0    0    0    0    0    0    0   12    0   26    0
END
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3D PDB for HMDB0302391 (2-Methylquinoline)

COMPND    HMDB0302391
HETATM    1  C1  UNL     1       3.293  -0.547  -0.229  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.882  -0.070  -0.098  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.566   1.259   0.096  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.254   1.677   0.214  1.00  0.00           C  
HETATM    5  S1  UNL     1      -0.142   3.244   0.444  1.00  0.00           S  
HETATM    6  C5  UNL     1      -0.785   0.769   0.141  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.110   1.143   0.254  1.00  0.00           C  
HETATM    8  C7  UNL     1      -3.127   0.220   0.178  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.802  -1.109  -0.016  1.00  0.00           C  
HETATM   10  C9  UNL     1      -1.474  -1.467  -0.127  1.00  0.00           C  
HETATM   11  C10 UNL     1      -0.438  -0.553  -0.053  1.00  0.00           C  
HETATM   12  N1  UNL     1       0.859  -0.942  -0.167  1.00  0.00           N  
HETATM   13  H1  UNL     1       3.941   0.215  -0.691  1.00  0.00           H  
HETATM   14  H2  UNL     1       3.665  -0.864   0.783  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.297  -1.432  -0.898  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.374   1.981   0.155  1.00  0.00           H  
HETATM   17  H5  UNL     1      -2.346   2.193   0.406  1.00  0.00           H  
HETATM   18  H6  UNL     1      -4.156   0.555   0.272  1.00  0.00           H  
HETATM   19  H7  UNL     1      -3.617  -1.820  -0.073  1.00  0.00           H  
HETATM   20  H8  UNL     1      -1.209  -2.514  -0.281  1.00  0.00           H  
HETATM   21  H9  UNL     1       1.073  -1.937  -0.311  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3    3   12
CONECT    3    4   16
CONECT    4    5    5    6
CONECT    6    7    7   11
CONECT    7    8   17
CONECT    8    9    9   18
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   12
CONECT   12   21
END
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SMILES for HMDB0302391 (2-Methylquinoline)

CC1=CC(=S)C2=CC=CC=C2N1
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INCHI for HMDB0302391 (2-Methylquinoline)

InChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC10H9NS
Average Molecular Weight175.25
Monoisotopic Molecular Weight175.045569983
IUPAC Name2-methyl-1,4-dihydroquinoline-4-thione
Traditional Name2-methyl-1H-quinoline-4-thione
CAS Registry NumberNot Available
SMILES
CC1=CC(=S)C2=CC=CC=C2N1
InChI Identifier
InChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
InChI KeyFQKLIBNGRKRDCL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassHydroquinolines
Direct ParentHydroquinolines
Alternative Parents
Substituents
  • Dihydroquinoline
  • Methylpyridine
  • Benzenoid
  • Pyridine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateLiquid
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
logP1.84ALOGPS
logP2.39ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)14.12ChemAxon
pKa (Strongest Basic)0.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area12.03 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity58.83 m³·mol⁻¹ChemAxon
Polarizability19.29 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+132.69932859911
AllCCS[M+H-H2O]+128.03332859911
AllCCS[M+Na]+138.30732859911
AllCCS[M+NH4]+137.05132859911
AllCCS[M-H]-132.20632859911
AllCCS[M+Na-2H]-132.6832859911
AllCCS[M+HCOO]-133.28232859911
DeepCCS[M+H]+129.53430932474
DeepCCS[M-H]-125.70430932474
DeepCCS[M-2H]-162.92930932474
DeepCCS[M+Na]+138.46930932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-Methylquinoline,1TMS,isomer #1CC1=CC(=S)C2=CC=CC=C2N1[Si](C)(C)C1923.7Semi standard non polar33892256
2-Methylquinoline,1TMS,isomer #1CC1=CC(=S)C2=CC=CC=C2N1[Si](C)(C)C1909.1Standard non polar33892256
2-Methylquinoline,1TMS,isomer #1CC1=CC(=S)C2=CC=CC=C2N1[Si](C)(C)C2086.4Standard polar33892256
2-Methylquinoline,1TBDMS,isomer #1CC1=CC(=S)C2=CC=CC=C2N1[Si](C)(C)C(C)(C)C2098.1Semi standard non polar33892256
2-Methylquinoline,1TBDMS,isomer #1CC1=CC(=S)C2=CC=CC=C2N1[Si](C)(C)C(C)(C)C2135.4Standard non polar33892256
2-Methylquinoline,1TBDMS,isomer #1CC1=CC(=S)C2=CC=CC=C2N1[Si](C)(C)C(C)(C)C2205.2Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 10V, Negative-QTOFsplash10-00di-0900000000-cf596ddf235f85d0701b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 20V, Negative-QTOFsplash10-00di-0900000000-86d317a8edce272d35ca2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 40V, Negative-QTOFsplash10-0a4i-0900000000-39b6055964e20ebff1752016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 10V, Negative-QTOFsplash10-00di-0900000000-cc38e54f95de2191b2902021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 20V, Negative-QTOFsplash10-00yi-2900000000-b6c26bc67b4afbf2b8e22021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 40V, Negative-QTOFsplash10-00yi-5900000000-18d28bd1953df42b2b882021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 10V, Positive-QTOFsplash10-004i-0900000000-3a915b36070b3250521a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 20V, Positive-QTOFsplash10-004i-0900000000-1f35f3819e1dbaaf32152016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 40V, Positive-QTOFsplash10-0006-0900000000-2047b95d13a28c3abedd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 10V, Positive-QTOFsplash10-004i-0900000000-a410690cc89d60baee502021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 20V, Positive-QTOFsplash10-004i-0900000000-6f33e5bf2887434cb7092021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylquinoline 40V, Positive-QTOFsplash10-000x-2900000000-007beeaf2608652824e02021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB004400
KNApSAcK IDNot Available
Chemspider ID818389
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
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 ReferencesNot Available