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Showing metabocard for DL-Methamphetamine (HMDB0251523)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 08:53:09 UTC
Update Date2021-09-26 23:03:33 UTC
HMDB IDHMDB0251523
Secondary Accession NumbersNone
Metabolite Identification
Common NameDL-Methamphetamine
DescriptionDL-Methamphetamine, also known as deoxyephedrine or desoxyn, belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. Based on a literature review a small amount of articles have been published on DL-Methamphetamine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Dl-methamphetamine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically DL-Methamphetamine 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.
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0251523 (DL-Methamphetamine)


  Mrv1652309112110532D          

 11 11  0  0  0  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    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
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  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
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0251523 (DL-Methamphetamine)

HMDB0251523
     RDKit          3D
DL-Methamphetamine
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.1477    1.1758    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -0.2051    0.0647 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3818   -0.3931   -0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0595   -1.8428   -0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5045    0.4983    0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171    0.3799    0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676   -0.5544    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133   -0.7576    0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079    0.0359   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8592    0.9683   -1.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149    1.1616   -0.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.7269   -0.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394    1.2853   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.6138    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168   -0.7235    0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2583   -0.1052   -1.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6031   -2.3291    0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0214   -2.0671   -0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4872   -2.3324   -1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412    0.2452    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8155    1.5489    0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2206   -1.1904    1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5923   -1.4933    1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6722   -0.1260   -0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3445    1.5755   -1.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438    1.9045   -1.3545 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
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
M  END
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3D SDF for HMDB0251523 (DL-Methamphetamine)


  Mrv1652309112110532D          

 11 11  0  0  0  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    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
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  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
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0251523

> <DATABASE_NAME>
hmdb

> <SMILES>
CNC(C)CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

> <INCHI_KEY>
MYWUZJCMWCOHBA-UHFFFAOYSA-N

> <FORMULA>
C10H15N

> <MOLECULAR_WEIGHT>
149.237

> <EXACT_MASS>
149.120449487

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
18.138517329531016

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl(1-phenylpropan-2-yl)amine

> <ALOGPS_LOGP>
2.23

> <JCHEM_LOGP>
2.2368308753333324

> <ALOGPS_LOGS>
-2.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.20988414728296

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
48.479800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.28e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-N,α-dimethylphenethylamine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0251523 (DL-Methamphetamine)

HMDB0251523
     RDKit          3D
DL-Methamphetamine
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.1477    1.1758    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -0.2051    0.0647 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3818   -0.3931   -0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0595   -1.8428   -0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5045    0.4983    0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171    0.3799    0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676   -0.5544    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133   -0.7576    0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079    0.0359   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8592    0.9683   -1.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149    1.1616   -0.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.7269   -0.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394    1.2853   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.6138    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168   -0.7235    0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2583   -0.1052   -1.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6031   -2.3291    0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0214   -2.0671   -0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4872   -2.3324   -1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412    0.2452    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8155    1.5489    0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2206   -1.1904    1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5923   -1.4933    1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6722   -0.1260   -0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3445    1.5755   -1.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438    1.9045   -1.3545 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
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
M  END
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PDB for HMDB0251523 (DL-Methamphetamine)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   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       1.334  -0.770   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  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       0.000   6.160   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    4                                                       
CONECT   10    2   11                                                       
CONECT   11   10                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0251523 (DL-Methamphetamine)

COMPND    HMDB0254049
HETATM    1  C1  UNL     1       3.314  -0.623  -0.580  1.00  0.00           C  
HETATM    2  N1  UNL     1       2.748   0.519   0.051  1.00  0.00           N  
HETATM    3  C2  UNL     1       1.355   0.457   0.350  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.142  -0.700   1.332  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.453   0.334  -0.828  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.982   0.277  -0.449  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.736   1.425  -0.340  1.00  0.00           C  
HETATM    8  C7  UNL     1      -3.076   1.359   0.015  1.00  0.00           C  
HETATM    9  C8  UNL     1      -3.686   0.148   0.267  1.00  0.00           C  
HETATM   10  C9  UNL     1      -2.954  -1.015   0.165  1.00  0.00           C  
HETATM   11  C10 UNL     1      -1.627  -0.912  -0.190  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.748  -1.348   0.165  1.00  0.00           H  
HETATM   13  H2  UNL     1       4.183  -0.289  -1.188  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.605  -1.112  -1.251  1.00  0.00           H  
HETATM   15  H4  UNL     1       3.073   1.388  -0.386  1.00  0.00           H  
HETATM   16  H5  UNL     1       1.100   1.375   0.958  1.00  0.00           H  
HETATM   17  H6  UNL     1       1.227  -1.637   0.744  1.00  0.00           H  
HETATM   18  H7  UNL     1       0.109  -0.590   1.723  1.00  0.00           H  
HETATM   19  H8  UNL     1       1.884  -0.640   2.154  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.698  -0.557  -1.430  1.00  0.00           H  
HETATM   21  H10 UNL     1       0.624   1.212  -1.498  1.00  0.00           H  
HETATM   22  H11 UNL     1      -1.328   2.414  -0.522  1.00  0.00           H  
HETATM   23  H12 UNL     1      -3.672   2.264   0.102  1.00  0.00           H  
HETATM   24  H13 UNL     1      -4.745   0.078   0.549  1.00  0.00           H  
HETATM   25  H14 UNL     1      -3.419  -1.995   0.360  1.00  0.00           H  
HETATM   26  H15 UNL     1      -1.041  -1.832  -0.273  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3   15
CONECT    3    4    5   16
CONECT    4   17   18   19
CONECT    5    6   20   21
CONECT    6    7    7   11
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   10   24
CONECT   10   11   11   25
CONECT   11   26
END
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SMILES for HMDB0251523 (DL-Methamphetamine)

CNC(C)CC1=CC=CC=C1
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INCHI for HMDB0251523 (DL-Methamphetamine)

InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
DeoxyephedrineMeSH
DesoxyephedrineMeSH
DesoxynMeSH
Hydrochloride, methamphetamineMeSH
MadrineMeSH
MetamfetamineMeSH
MethamphetamineMeSH
Methamphetamine hydrochlorideMeSH
MethylamphetamineMeSH
N MethylamphetamineMeSH
N-MethylamphetamineMeSH
Chemical FormulaC10H15N
Average Molecular Weight149.237
Monoisotopic Molecular Weight149.120449487
IUPAC Namemethyl(1-phenylpropan-2-yl)amine
Traditional Name(+)-N,α-dimethylphenethylamine
CAS Registry NumberNot Available
SMILES
CNC(C)CC1=CC=CC=C1
InChI Identifier
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChI KeyMYWUZJCMWCOHBA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenethylamines
Direct ParentAmphetamines and derivatives
Alternative Parents
Substituents
  • Amphetamine or derivatives
  • Phenylpropane
  • Aralkylamine
  • Secondary amine
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
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
logP2.23ALOGPS
logP2.24ChemAxon
logS-2.2ALOGPS
pKa (Strongest Basic)10.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area12.03 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity48.48 m³·mol⁻¹ChemAxon
Polarizability18.14 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
DeepCCS[M+H]+134.56830932474
DeepCCS[M-H]-130.90630932474
DeepCCS[M-2H]-168.43430932474
DeepCCS[M+Na]+143.84630932474
AllCCS[M+H]+135.232859911
AllCCS[M+H-H2O]+130.932859911
AllCCS[M+NH4]+139.332859911
AllCCS[M+Na]+140.432859911
AllCCS[M-H]-135.632859911
AllCCS[M+Na-2H]-137.232859911
AllCCS[M+HCOO]-139.132859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
DL-Methamphetamine,1TMS,isomer #1CC(CC1=CC=CC=C1)N(C)[Si](C)(C)C1396.4Semi standard non polar33892256
DL-Methamphetamine,1TMS,isomer #1CC(CC1=CC=CC=C1)N(C)[Si](C)(C)C1395.6Standard non polar33892256
DL-Methamphetamine,1TMS,isomer #1CC(CC1=CC=CC=C1)N(C)[Si](C)(C)C1626.1Standard polar33892256
DL-Methamphetamine,1TBDMS,isomer #1CC(CC1=CC=CC=C1)N(C)[Si](C)(C)C(C)(C)C1609.8Semi standard non polar33892256
DL-Methamphetamine,1TBDMS,isomer #1CC(CC1=CC=CC=C1)N(C)[Si](C)(C)C(C)(C)C1630.9Standard non polar33892256
DL-Methamphetamine,1TBDMS,isomer #1CC(CC1=CC=CC=C1)N(C)[Si](C)(C)C(C)(C)C1779.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - DL-Methamphetamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-9100000000-d5c137de90ac4540f8bb2021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - DL-Methamphetamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - DL-Methamphetamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - DL-Methamphetamine 75V, Positive-QTOFsplash10-0006-9000000000-7a76ebb7d42ea14882ef2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - DL-Methamphetamine 90V, Positive-QTOFsplash10-0006-9000000000-acceeab246738563bdbf2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - DL-Methamphetamine 60V, Positive-QTOFsplash10-0006-9000000000-97ca35c53e5afbf371c12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - DL-Methamphetamine 45V, Positive-QTOFsplash10-0006-9200000000-82a0fd8f9abd054fd3bd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - DL-Methamphetamine -1V, Positive-QTOFsplash10-0006-9000000000-5d8f4cfc22cd30488aff2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - DL-Methamphetamine 30V, Positive-QTOFsplash10-00kf-8900000000-34cd96802da484d6f8922021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - DL-Methamphetamine 10V, Positive-QTOFsplash10-0fr6-7900000000-dfda1c6283cb040870e82021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - DL-Methamphetamine 20V, Positive-QTOFsplash10-0006-9000000000-23af4ddecda44b16cc872021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - DL-Methamphetamine 40V, Positive-QTOFsplash10-0006-9000000000-07bdb709776cfa3db6332021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - DL-Methamphetamine 10V, Negative-QTOFsplash10-0002-0900000000-5752a5fb61261e2be13f2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - DL-Methamphetamine 20V, Negative-QTOFsplash10-00kf-7900000000-fdd0749535e52fbdb3a12021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - DL-Methamphetamine 40V, Negative-QTOFsplash10-0006-9200000000-8bc97a254784dde055b72021-10-12Wishart 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 IDNot Available
KNApSAcK IDNot Available
Chemspider ID1169
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound1206
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 ]