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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 08:08:28 UTC

Update Date

2021-09-26 23:02:44 UTC

HMDB ID

HMDB0250980

Secondary Accession Numbers

None

Metabolite Identification

Common Name

delta-N-Methylarginine

Description

delta-N-Methylarginine, also known as δ-N-methylarginine, belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on delta-N-Methylarginine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Delta-n-methylarginine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically delta-N-Methylarginine 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

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

HMDB0250980
     RDKit          3D
delta-N-Methylarginine
 29 28  0  0  0  0  0  0  0  0999 V2000
    1.6403    1.3119    1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391    0.4464    0.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    0.2917   -1.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439   -0.4450   -0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    0.1212    0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3726   -0.7040    0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1772   -0.0603    1.6235 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1854   -0.8102   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8495   -1.4197   -1.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4346   -0.1986   -0.6790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.2541    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   -1.4134   -0.4852 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598    0.2389    0.6997 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453    1.9763    1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814    1.9536    0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212    0.7624    2.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7532    1.2785   -1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5085   -0.2635   -1.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271   -0.4208   -1.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170   -1.5221   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623    1.1562    0.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722    0.0549    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0460   -1.6989    0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7982    0.6592    1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8119   -0.7940    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5945    0.7415   -1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -1.8099   -0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1478    0.5765    0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3999    0.2452    1.7414 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
  2 11  1  0
 11 12  2  3
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
 10 26  1  0
 12 27  1  0
 13 28  1  0
 13 29  1  0
M  END

HMDB0250980
     RDKit          3D
delta-N-Methylarginine
 29 28  0  0  0  0  0  0  0  0999 V2000
    1.6403    1.3119    1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391    0.4464    0.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    0.2917   -1.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439   -0.4450   -0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    0.1212    0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3726   -0.7040    0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1772   -0.0603    1.6235 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1854   -0.8102   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8495   -1.4197   -1.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4346   -0.1986   -0.6790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.2541    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   -1.4134   -0.4852 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598    0.2389    0.6997 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453    1.9763    1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814    1.9536    0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212    0.7624    2.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7532    1.2785   -1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5085   -0.2635   -1.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271   -0.4208   -1.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170   -1.5221   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623    1.1562    0.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722    0.0549    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0460   -1.6989    0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7982    0.6592    1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8119   -0.7940    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5945    0.7415   -1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -1.8099   -0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1478    0.5765    0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3999    0.2452    1.7414 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
  2 11  1  0
 11 12  2  3
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
 10 26  1  0
 12 27  1  0
 13 28  1  0
 13 29  1  0
M  END

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      13.598   6.311   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      13.598   4.771   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.596   4.771   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       6.930   2.461   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       8.264   6.311   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      16.266   4.771   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      14.932   2.461   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6                                                            
CONECT   11    2   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END

COMPND    HMDB0250980
HETATM    1  C1  UNL     1       1.640   1.312   1.176  1.00  0.00           C  
HETATM    2  N1  UNL     1       1.939   0.446   0.065  1.00  0.00           N  
HETATM    3  C2  UNL     1       1.018   0.292  -1.017  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.244  -0.445  -0.720  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.122   0.121   0.327  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.373  -0.704   0.564  1.00  0.00           C  
HETATM    7  N2  UNL     1      -3.177  -0.060   1.623  1.00  0.00           N  
HETATM    8  C6  UNL     1      -3.185  -0.810  -0.648  1.00  0.00           C  
HETATM    9  O1  UNL     1      -2.849  -1.420  -1.688  1.00  0.00           O  
HETATM   10  O2  UNL     1      -4.435  -0.199  -0.679  1.00  0.00           O  
HETATM   11  C7  UNL     1       3.175  -0.254   0.081  1.00  0.00           C  
HETATM   12  N3  UNL     1       3.274  -1.413  -0.485  1.00  0.00           N  
HETATM   13  N4  UNL     1       4.360   0.239   0.700  1.00  0.00           N  
HETATM   14  H1  UNL     1       2.545   1.976   1.352  1.00  0.00           H  
HETATM   15  H2  UNL     1       0.781   1.954   0.919  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.521   0.762   2.136  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.753   1.278  -1.491  1.00  0.00           H  
HETATM   18  H5  UNL     1       1.509  -0.264  -1.874  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.827  -0.421  -1.695  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.017  -1.522  -0.542  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.462   1.156   0.122  1.00  0.00           H  
HETATM   22  H9  UNL     1      -0.572   0.055   1.308  1.00  0.00           H  
HETATM   23  H10 UNL     1      -2.046  -1.699   0.934  1.00  0.00           H  
HETATM   24  H11 UNL     1      -3.798   0.659   1.190  1.00  0.00           H  
HETATM   25  H12 UNL     1      -3.812  -0.794   2.042  1.00  0.00           H  
HETATM   26  H13 UNL     1      -4.594   0.742  -1.010  1.00  0.00           H  
HETATM   27  H14 UNL     1       2.450  -1.810  -0.941  1.00  0.00           H  
HETATM   28  H15 UNL     1       5.148   0.576   0.121  1.00  0.00           H  
HETATM   29  H16 UNL     1       4.400   0.245   1.741  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3   11
CONECT    3    4   17   18
CONECT    4    5   19   20
CONECT    5    6   21   22
CONECT    6    7    8   23
CONECT    7   24   25
CONECT    8    9    9   10
CONECT   10   26
CONECT   11   12   12   13
CONECT   12   27
CONECT   13   28   29
END

HMDB0250980
     RDKit          3D
delta-N-Methylarginine
 29 28  0  0  0  0  0  0  0  0999 V2000
    1.6403    1.3119    1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391    0.4464    0.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    0.2917   -1.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439   -0.4450   -0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    0.1212    0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3726   -0.7040    0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1772   -0.0603    1.6235 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1854   -0.8102   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8495   -1.4197   -1.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4346   -0.1986   -0.6790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.2541    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   -1.4134   -0.4852 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598    0.2389    0.6997 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453    1.9763    1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814    1.9536    0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212    0.7624    2.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7532    1.2785   -1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5085   -0.2635   -1.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271   -0.4208   -1.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170   -1.5221   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623    1.1562    0.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722    0.0549    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0460   -1.6989    0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7982    0.6592    1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8119   -0.7940    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5945    0.7415   -1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -1.8099   -0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1478    0.5765    0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3999    0.2452    1.7414 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
  2 11  1  0
 11 12  2  3
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
 10 26  1  0
 12 27  1  0
 13 28  1  0
 13 29  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Δ-N-methylarginine	Generator

Chemical Formula

C₇H₁₆N₄O₂

Average Molecular Weight

188.231

Monoisotopic Molecular Weight

188.127325771

IUPAC Name

2-amino-5-(N-methylcarbamimidamido)pentanoic acid

Traditional Name

2-amino-5-(N-methylcarbamimidamido)pentanoic acid

CAS Registry Number

Not Available

SMILES

CN(CCCC(N)C(O)=O)C(N)=N

InChI Identifier

InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)

InChI Key

XKCWNEVAXQCMGP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Arginine and derivatives

Alternative Parents

Substituents

Arginine or derivatives
Alpha-amino acid
Fatty acid
Guanidine
Amino acid
Carboximidamide
Monocarboxylic acid or derivatives
Carboxylic acid
Hydrocarbon derivative
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Imine
Carbonyl group
Amine
Organic nitrogen compound
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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
logP	-3.6	ALOGPS
logP	-2.9	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	2.48	ChemAxon
pKa (Strongest Basic)	12.57	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	116.43 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	59.22 m³·mol⁻¹	ChemAxon
Polarizability	19.77 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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
DeepCCS	[M+H]+	141.991	30932474
DeepCCS	[M-H]-	139.152	30932474
DeepCCS	[M-2H]-	175.898	30932474
DeepCCS	[M+Na]+	151.122	30932474
AllCCS	[M+H]+	143.4	32859911
AllCCS	[M+H-H2O]+	139.7	32859911
AllCCS	[M+NH4]+	146.8	32859911
AllCCS	[M+Na]+	147.8	32859911
AllCCS	[M-H]-	141.0	32859911
AllCCS	[M+Na-2H]-	142.4	32859911
AllCCS	[M+HCOO]-	144.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
delta-N-Methylarginine	CN(CCCC(N)C(O)=O)C(N)=N	2923.2	Standard polar	33892256
delta-N-Methylarginine	CN(CCCC(N)C(O)=O)C(N)=N	1702.7	Standard non polar	33892256
delta-N-Methylarginine	CN(CCCC(N)C(O)=O)C(N)=N	2220.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
delta-N-Methylarginine,2TMS,isomer #1	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N)N	2061.6	Semi standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #1	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N)N	1814.7	Standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #1	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N)N	3576.5	Standard polar	33892256
delta-N-Methylarginine,2TMS,isomer #2	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	2120.2	Semi standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #2	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	1921.0	Standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #2	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	3570.0	Standard polar	33892256
delta-N-Methylarginine,2TMS,isomer #3	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	1966.5	Semi standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #3	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	1849.6	Standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #3	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	3672.6	Standard polar	33892256
delta-N-Methylarginine,2TMS,isomer #4	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N)N[Si](C)(C)C	2201.2	Semi standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #4	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N)N[Si](C)(C)C	1895.0	Standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #4	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N)N[Si](C)(C)C	3538.7	Standard polar	33892256
delta-N-Methylarginine,2TMS,isomer #5	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	2243.2	Semi standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #5	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	1885.8	Standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #5	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3803.9	Standard polar	33892256
delta-N-Methylarginine,2TMS,isomer #6	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(N)=N[Si](C)(C)C	2080.9	Semi standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #6	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(N)=N[Si](C)(C)C	1873.2	Standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #6	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(N)=N[Si](C)(C)C	3514.2	Standard polar	33892256
delta-N-Methylarginine,2TMS,isomer #7	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	2086.9	Semi standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #7	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	1847.1	Standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #7	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	3623.3	Standard polar	33892256
delta-N-Methylarginine,2TMS,isomer #8	CN(CCCC(N)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2189.4	Semi standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #8	CN(CCCC(N)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2024.1	Standard non polar	33892256
delta-N-Methylarginine,2TMS,isomer #8	CN(CCCC(N)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3803.2	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #1	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	2183.7	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #1	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	1991.2	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #1	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	3074.8	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #10	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2141.4	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #10	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2043.9	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #10	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3270.9	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	2212.9	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	1939.9	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3444.9	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #3	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	2032.5	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #3	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	1876.5	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #3	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	3300.2	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #4	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	2060.2	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #4	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	1903.3	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #4	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3189.4	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2124.2	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2105.4	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3240.5	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	2312.7	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	2044.9	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3235.5	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #7	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	2143.2	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #7	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	1916.3	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #7	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	3092.8	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #8	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2207.9	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #8	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2078.8	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #8	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3066.7	Standard polar	33892256
delta-N-Methylarginine,3TMS,isomer #9	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	2184.9	Semi standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #9	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	1997.0	Standard non polar	33892256
delta-N-Methylarginine,3TMS,isomer #9	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3420.6	Standard polar	33892256
delta-N-Methylarginine,4TMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	2308.2	Semi standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	2107.8	Standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	2888.4	Standard polar	33892256
delta-N-Methylarginine,4TMS,isomer #2	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	2098.8	Semi standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #2	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	1929.0	Standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #2	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	2735.7	Standard polar	33892256
delta-N-Methylarginine,4TMS,isomer #3	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2171.5	Semi standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #3	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2168.9	Standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #3	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2699.4	Standard polar	33892256
delta-N-Methylarginine,4TMS,isomer #4	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	2185.5	Semi standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #4	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	1990.7	Standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #4	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3263.1	Standard polar	33892256
delta-N-Methylarginine,4TMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2142.5	Semi standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2079.6	Standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2845.7	Standard polar	33892256
delta-N-Methylarginine,4TMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	2272.5	Semi standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	2026.2	Standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	2886.6	Standard polar	33892256
delta-N-Methylarginine,4TMS,isomer #7	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2334.1	Semi standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #7	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2239.9	Standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #7	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2873.9	Standard polar	33892256
delta-N-Methylarginine,4TMS,isomer #8	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2195.7	Semi standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #8	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2092.1	Standard non polar	33892256
delta-N-Methylarginine,4TMS,isomer #8	CN(CCCC(N[Si](C)(C)C)C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2674.4	Standard polar	33892256
delta-N-Methylarginine,5TMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	2275.3	Semi standard non polar	33892256
delta-N-Methylarginine,5TMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	2035.5	Standard non polar	33892256
delta-N-Methylarginine,5TMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	2625.3	Standard polar	33892256
delta-N-Methylarginine,5TMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2348.6	Semi standard non polar	33892256
delta-N-Methylarginine,5TMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2287.7	Standard non polar	33892256
delta-N-Methylarginine,5TMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2601.1	Standard polar	33892256
delta-N-Methylarginine,5TMS,isomer #3	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2192.3	Semi standard non polar	33892256
delta-N-Methylarginine,5TMS,isomer #3	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2107.0	Standard non polar	33892256
delta-N-Methylarginine,5TMS,isomer #3	CN(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2376.6	Standard polar	33892256
delta-N-Methylarginine,5TMS,isomer #4	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2354.6	Semi standard non polar	33892256
delta-N-Methylarginine,5TMS,isomer #4	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2205.1	Standard non polar	33892256
delta-N-Methylarginine,5TMS,isomer #4	CN(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2534.6	Standard polar	33892256
delta-N-Methylarginine,6TMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2401.5	Semi standard non polar	33892256
delta-N-Methylarginine,6TMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2206.1	Standard non polar	33892256
delta-N-Methylarginine,6TMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2304.5	Standard polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #1	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N	2513.8	Semi standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #1	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N	2258.9	Standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #1	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N	3545.0	Standard polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #2	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	2584.2	Semi standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #2	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	2360.1	Standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #2	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	3429.1	Standard polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #3	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	2399.1	Semi standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #3	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	2251.8	Standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #3	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	3686.1	Standard polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #4	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N[Si](C)(C)C(C)(C)C	2687.6	Semi standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #4	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N[Si](C)(C)C(C)(C)C	2350.5	Standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #4	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N[Si](C)(C)C(C)(C)C	3341.3	Standard polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #5	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	2649.2	Semi standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #5	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	2302.6	Standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #5	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	3708.1	Standard polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #6	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(N)=N[Si](C)(C)C(C)(C)C	2535.9	Semi standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #6	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(N)=N[Si](C)(C)C(C)(C)C	2281.2	Standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #6	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(N)=N[Si](C)(C)C(C)(C)C	3505.3	Standard polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #7	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2542.2	Semi standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #7	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2243.4	Standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #7	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3444.5	Standard polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #8	CN(CCCC(N)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2600.3	Semi standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #8	CN(CCCC(N)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2441.8	Standard non polar	33892256
delta-N-Methylarginine,2TBDMS,isomer #8	CN(CCCC(N)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3570.8	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #1	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	2819.3	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #1	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	2581.6	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #1	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	3083.4	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #10	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2774.5	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #10	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2613.9	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #10	CN(CCCC(N)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3173.1	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	2837.2	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	2546.0	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	3458.8	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #3	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	2651.7	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #3	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	2444.1	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #3	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	3399.6	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #4	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2673.5	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #4	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2433.3	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #4	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3173.4	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2770.6	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2701.2	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3199.7	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	2927.3	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	2614.5	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	3193.3	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #7	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2779.3	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #7	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2428.3	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #7	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3087.8	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #8	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2861.8	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #8	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2682.1	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #8	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3108.4	Standard polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #9	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	2810.2	Semi standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #9	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	2553.2	Standard non polar	33892256
delta-N-Methylarginine,3TBDMS,isomer #9	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	3474.2	Standard polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	3144.6	Semi standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	2819.5	Standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	3047.6	Standard polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #2	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2902.2	Semi standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #2	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2588.4	Standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #2	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2945.5	Standard polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #3	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3014.1	Semi standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #3	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2889.7	Standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #3	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2958.0	Standard polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #4	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	3031.7	Semi standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #4	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	2709.3	Standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #4	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	3404.0	Standard polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2947.4	Semi standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2774.7	Standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #5	CN(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3013.1	Standard polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3082.2	Semi standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2680.0	Standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #6	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3031.5	Standard polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #7	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3136.0	Semi standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #7	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2918.2	Standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #7	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3047.4	Standard polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #8	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3024.0	Semi standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #8	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2782.1	Standard non polar	33892256
delta-N-Methylarginine,4TBDMS,isomer #8	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2910.3	Standard polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3295.2	Semi standard non polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2858.3	Standard non polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2964.3	Standard polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3349.3	Semi standard non polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3127.9	Standard non polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #2	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2939.7	Standard polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #3	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3171.9	Semi standard non polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #3	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2943.8	Standard non polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #3	CN(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2814.7	Standard polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #4	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3342.9	Semi standard non polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #4	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3015.5	Standard non polar	33892256
delta-N-Methylarginine,5TBDMS,isomer #4	CN(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2868.9	Standard polar	33892256
delta-N-Methylarginine,6TBDMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3548.2	Semi standard non polar	33892256
delta-N-Methylarginine,6TBDMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3202.9	Standard non polar	33892256
delta-N-Methylarginine,6TBDMS,isomer #1	CN(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2846.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9200000000-271f9a2f7d6c4538dd0f	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - delta-N-Methylarginine GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-03	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 - delta-N-Methylarginine 10V, Positive-QTOF	splash10-000i-1900000000-4a264626fe204ee8a46a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - delta-N-Methylarginine 20V, Positive-QTOF	splash10-00di-9100000000-d99396ac55d2052eddc8	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - delta-N-Methylarginine 40V, Positive-QTOF	splash10-00di-9000000000-2a322f597198bfcdf22c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - delta-N-Methylarginine 10V, Negative-QTOF	splash10-000b-0900000000-fbffdb729e227b591fab	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - delta-N-Methylarginine 20V, Negative-QTOF	splash10-002b-1900000000-d60daaea406cc469a235	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - delta-N-Methylarginine 40V, Negative-QTOF	splash10-0006-9000000000-dc8a9097022a89c8f102	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

11266063

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13154333

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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 ]

Showing metabocard for delta-N-Methylarginine (HMDB0250980)

MOL for HMDB0250980 (delta-N-Methylarginine)

3D MOL for HMDB0250980 (delta-N-Methylarginine)

3D SDF for HMDB0250980 (delta-N-Methylarginine)

3D-SDF for HMDB0250980 (delta-N-Methylarginine)

PDB for HMDB0250980 (delta-N-Methylarginine)

3D PDB for HMDB0250980 (delta-N-Methylarginine)

SMILES for HMDB0250980 (delta-N-Methylarginine)

INCHI for HMDB0250980 (delta-N-Methylarginine)

Structure for HMDB0250980 (delta-N-Methylarginine)

3D Structure for HMDB0250980 (delta-N-Methylarginine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra