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Showing metabocard for 2-Methyl-3-(2-propenyl)pyrazine (HMDB0039994)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:32:50 UTC
Update Date2023-02-21 17:27:20 UTC
HMDB IDHMDB0039994
Secondary Accession Numbers
  • HMDB39994
Metabolite Identification
Common Name2-Methyl-3-(2-propenyl)pyrazine
Description2-Methyl-3-(2-propenyl)pyrazine belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 2-Methyl-3-(2-propenyl)pyrazine has been detected, but not quantified in, a few different foods, such as breakfast cereal, cereals and cereal products, and crustaceans. This could make 2-methyl-3-(2-propenyl)pyrazine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2-Methyl-3-(2-propenyl)pyrazine.
Structure
Data?1677000440
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039994 (2-Methyl-3-(2-propenyl)pyrazine)


  Mrv0541 05061311332D          

 10 10  0  0  0  0            999 V2000
    1.4289    3.3000    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
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    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
    0.0000    0.8250    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039994 (2-Methyl-3-(2-propenyl)pyrazine)

HMDB0039994
     RDKit          3D
2-Methyl-3-(2-propenyl)pyrazine
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.9688   -0.3561    1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9471    0.3240    0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2560   -0.1282   -0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760   -0.4105   -0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6197   -1.7021   -0.2643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -1.9632   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643   -0.9642    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4478    0.3058   -0.0564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1209    0.5782   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799    2.0093   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967   -1.2520    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010   -0.0507    1.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296    1.2196    1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7225   -1.0872   -1.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591    0.5965   -1.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2866   -2.9940    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069   -1.2379    0.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236    2.0650   -1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5505    2.6158   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3312    2.4318    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
  7 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END
Download

3D SDF for HMDB0039994 (2-Methyl-3-(2-propenyl)pyrazine)


  Mrv0541 05061311332D          

 10 10  0  0  0  0            999 V2000
    1.4289    3.3000    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
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    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
    0.0000    0.8250    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039994

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=C(CC=C)N=CC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3,5-6H,1,4H2,2H3

> <INCHI_KEY>
AQCVFCFCPBWGSY-UHFFFAOYSA-N

> <FORMULA>
C8H10N2

> <MOLECULAR_WEIGHT>
134.1784

> <EXACT_MASS>
134.08439833

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
14.781170693953053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methyl-3-(prop-2-en-1-yl)pyrazine

> <ALOGPS_LOGP>
1.48

> <JCHEM_LOGP>
0.6417578256666665

> <ALOGPS_LOGS>
-0.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.2016515666928338

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
40.1992

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.55e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-3-(prop-2-en-1-yl)pyrazine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0039994 (2-Methyl-3-(2-propenyl)pyrazine)

HMDB0039994
     RDKit          3D
2-Methyl-3-(2-propenyl)pyrazine
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.9688   -0.3561    1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9471    0.3240    0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2560   -0.1282   -0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760   -0.4105   -0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6197   -1.7021   -0.2643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -1.9632   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643   -0.9642    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4478    0.3058   -0.0564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1209    0.5782   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799    2.0093   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967   -1.2520    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010   -0.0507    1.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296    1.2196    1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7225   -1.0872   -1.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591    0.5965   -1.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2866   -2.9940    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069   -1.2379    0.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236    2.0650   -1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5505    2.6158   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3312    2.4318    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
  7 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END
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PDB for HMDB0039994 (2-Methyl-3-(2-propenyl)pyrazine)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.667   6.160   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       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   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  N   UNK     0       2.667   1.540   0.000  0.00  0.00           N+0
CONECT    1    3                                                            
CONECT    2    7                                                            
CONECT    3    1    4                                                       
CONECT    4    3    8                                                       
CONECT    5    6    9                                                       
CONECT    6    5   10                                                       
CONECT    7    2    8    9                                                  
CONECT    8    4    7   10                                                  
CONECT    9    5    7                                                       
CONECT   10    6    8                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0039994 (2-Methyl-3-(2-propenyl)pyrazine)

COMPND    HMDB0039994
HETATM    1  C1  UNL     1       2.969  -0.356   1.105  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.947   0.324   0.612  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.256  -0.128  -0.602  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.176  -0.411  -0.377  1.00  0.00           C  
HETATM    5  N1  UNL     1      -0.620  -1.702  -0.264  1.00  0.00           N  
HETATM    6  C5  UNL     1      -1.921  -1.963  -0.057  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.864  -0.964   0.052  1.00  0.00           C  
HETATM    8  N2  UNL     1      -2.448   0.306  -0.056  1.00  0.00           N  
HETATM    9  C7  UNL     1      -1.121   0.578  -0.268  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.680   2.009  -0.389  1.00  0.00           C  
HETATM   11  H1  UNL     1       3.297  -1.252   0.609  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.501  -0.051   1.999  1.00  0.00           H  
HETATM   13  H3  UNL     1       1.630   1.220   1.118  1.00  0.00           H  
HETATM   14  H4  UNL     1       1.723  -1.087  -1.001  1.00  0.00           H  
HETATM   15  H5  UNL     1       1.459   0.596  -1.416  1.00  0.00           H  
HETATM   16  H6  UNL     1      -2.287  -2.994   0.036  1.00  0.00           H  
HETATM   17  H7  UNL     1      -3.907  -1.238   0.220  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.124   2.065  -1.126  1.00  0.00           H  
HETATM   19  H9  UNL     1      -1.551   2.616  -0.751  1.00  0.00           H  
HETATM   20  H10 UNL     1      -0.331   2.432   0.557  1.00  0.00           H  
CONECT    1    2    2   11   12
CONECT    2    3   13
CONECT    3    4   14   15
CONECT    4    5    5    9
CONECT    5    6
CONECT    6    7    7   16
CONECT    7    8   17
CONECT    8    9    9
CONECT    9   10
CONECT   10   18   19   20
END
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SMILES for HMDB0039994 (2-Methyl-3-(2-propenyl)pyrazine)

CC1=C(CC=C)N=CC=N1
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INCHI for HMDB0039994 (2-Methyl-3-(2-propenyl)pyrazine)

InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3,5-6H,1,4H2,2H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-Allyl-3-methylpyrazineHMDB
Chemical FormulaC8H10N2
Average Molecular Weight134.1784
Monoisotopic Molecular Weight134.08439833
IUPAC Name2-methyl-3-(prop-2-en-1-yl)pyrazine
Traditional Name2-methyl-3-(prop-2-en-1-yl)pyrazine
CAS Registry Number55138-62-0
SMILES
CC1=C(CC=C)N=CC=N1
InChI Identifier
InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3,5-6H,1,4H2,2H3
InChI KeyAQCVFCFCPBWGSY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrazines
Direct ParentPyrazines
Alternative Parents
Substituents
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility2192 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility25.5 g/LALOGPS
logP1.48ALOGPS
logP0.64ChemAxon
logS-0.72ALOGPS
pKa (Strongest Basic)1.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area25.78 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity40.2 m³·mol⁻¹ChemAxon
Polarizability14.78 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+127.76331661259
DarkChem[M-H]-125.09831661259
DeepCCS[M+H]+127.55830932474
DeepCCS[M-H]-123.72830932474
DeepCCS[M-2H]-160.98830932474
DeepCCS[M+Na]+136.28530932474
AllCCS[M+H]+127.332859911
AllCCS[M+H-H2O]+122.532859911
AllCCS[M+NH4]+131.732859911
AllCCS[M+Na]+133.032859911
AllCCS[M-H]-128.532859911
AllCCS[M+Na-2H]-130.232859911
AllCCS[M+HCOO]-132.132859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
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, 2022.2.61 minutes32390414
Predicted by Siyang on May 30, 20228.7856 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.58 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid93.1 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid533.8 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid301.0 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid105.4 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid189.3 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid58.2 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid294.0 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid306.5 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)494.5 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid684.1 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid36.2 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid860.9 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid185.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid243.4 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate478.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA468.9 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water73.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-Methyl-3-(2-propenyl)pyrazineCC1=C(CC=C)N=CC=N11584.9Standard polar33892256
2-Methyl-3-(2-propenyl)pyrazineCC1=C(CC=C)N=CC=N11068.3Standard non polar33892256
2-Methyl-3-(2-propenyl)pyrazineCC1=C(CC=C)N=CC=N11103.4Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB019676
KNApSAcK IDC00055366
Chemspider ID507473
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound583833
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1881361
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .