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Showing metabocard for Adipic dihydrazide (HMDB0248014)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 01:10:10 UTC
Update Date2021-09-26 22:58:03 UTC
HMDB IDHMDB0248014
Secondary Accession NumbersNone
Metabolite Identification
Common NameAdipic dihydrazide
DescriptionAdipic dihydrazide, also known as hexanedihydrazonate, belongs to the class of organic compounds known as carboxylic acid hydrazides. These are carboxylic acid derivatives containing a carbonyl group in which the carbon is directly linked to a hydrazide group (N-N). Based on a literature review a significant number of articles have been published on Adipic dihydrazide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Adipic dihydrazide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Adipic dihydrazide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0248014 (Adipic dihydrazide)


  Mrv1572004191602372D          

 12 11  0  0  0  0            999 V2000
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  9  5  2  0  0  0  0
  9  7  1  4  0  0  0
 10  6  2  0  0  0  0
 10  8  1  4  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
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3D MOL for HMDB0248014 (Adipic dihydrazide)

HMDB0248014
     RDKit          3D
Adipic dihydrazide
 26 25  0  0  0  0  0  0  0  0999 V2000
   -4.7545    0.6480   -0.0193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903    0.4941   -0.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7895   -0.6486   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5613   -1.7847    0.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3163   -0.7577   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022    0.5954   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906    0.5716   -0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4161   -0.0185    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105   -0.0655    0.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5928   -0.5982    1.5784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5239    0.3697   -0.5523 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    0.3221   -0.6373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1285    0.7259    0.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4367    0.6936   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5569   -1.7639    0.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1031   -1.4561   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491   -1.2107    0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803    1.0842   -1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9671    1.2051    0.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933    0.0167   -1.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470    1.6123   -0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765    0.5843    1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0660   -1.0602    0.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -0.1883    2.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3505   -0.2961   -1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4739    0.9049   -0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  3
 11 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
 10 24  1  0
 12 25  1  0
 12 26  1  0
M  END
Download

3D SDF for HMDB0248014 (Adipic dihydrazide)


  Mrv1572004191602372D          

 12 11  0  0  0  0            999 V2000
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  9  5  2  0  0  0  0
  9  7  1  4  0  0  0
 10  6  2  0  0  0  0
 10  8  1  4  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0248014

> <DATABASE_NAME>
hmdb

> <SMILES>
NN=C(O)CCCCC(O)=NN

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)

> <INCHI_KEY>
IBVAQQYNSHJXBV-UHFFFAOYSA-N

> <FORMULA>
C6H14N4O2

> <MOLECULAR_WEIGHT>
174.204

> <EXACT_MASS>
174.111675707

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.860817189615148

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
hexanedihydrazonic acid

> <ALOGPS_LOGP>
-0.42

> <JCHEM_LOGP>
-0.07697399666666668

> <ALOGPS_LOGS>
-2.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
6.3092405227219395

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.584760419724977

> <JCHEM_PKA_STRONGEST_BASIC>
2.95667411978025

> <JCHEM_POLAR_SURFACE_AREA>
117.22000000000001

> <JCHEM_REFRACTIVITY>
46.395

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adipic acid dihydrazide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0248014 (Adipic dihydrazide)

HMDB0248014
     RDKit          3D
Adipic dihydrazide
 26 25  0  0  0  0  0  0  0  0999 V2000
   -4.7545    0.6480   -0.0193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903    0.4941   -0.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7895   -0.6486   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5613   -1.7847    0.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3163   -0.7577   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022    0.5954   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906    0.5716   -0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4161   -0.0185    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105   -0.0655    0.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5928   -0.5982    1.5784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5239    0.3697   -0.5523 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    0.3221   -0.6373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1285    0.7259    0.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4367    0.6936   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5569   -1.7639    0.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1031   -1.4561   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491   -1.2107    0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803    1.0842   -1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9671    1.2051    0.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933    0.0167   -1.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470    1.6123   -0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765    0.5843    1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0660   -1.0602    0.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -0.1883    2.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3505   -0.2961   -1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4739    0.9049   -0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  3
 11 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
 10 24  1  0
 12 25  1  0
 12 26  1  0
M  END
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PDB for HMDB0248014 (Adipic dihydrazide)

HEADER    PROTEIN                                 19-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-16         0                                  
HETATM    1  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.207  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.206   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.541   0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.127   0.000   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       8.208   0.770   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      -3.795   0.000   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       6.875  -0.000   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      -2.461   0.770   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0       5.541   2.310   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -1.127  -1.540   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    9   11                                                  
CONECT    6    4   10   12                                                  
CONECT    7    9                                                            
CONECT    8   10                                                            
CONECT    9    5    7                                                       
CONECT   10    6    8                                                       
CONECT   11    5                                                            
CONECT   12    6                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
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3D PDB for HMDB0248014 (Adipic dihydrazide)

COMPND    HMDB0248014
HETATM    1  N1  UNL     1      -4.754   0.648  -0.019  1.00  0.00           N  
HETATM    2  N2  UNL     1      -3.390   0.494  -0.154  1.00  0.00           N  
HETATM    3  C1  UNL     1      -2.789  -0.649  -0.107  1.00  0.00           C  
HETATM    4  O1  UNL     1      -3.561  -1.785   0.090  1.00  0.00           O  
HETATM    5  C2  UNL     1      -1.316  -0.758  -0.257  1.00  0.00           C  
HETATM    6  C3  UNL     1      -0.702   0.595  -0.457  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.791   0.572  -0.624  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.416  -0.018   0.596  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.910  -0.065   0.494  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.593  -0.598   1.578  1.00  0.00           O  
HETATM   11  N3  UNL     1       3.524   0.370  -0.552  1.00  0.00           N  
HETATM   12  N4  UNL     1       4.904   0.322  -0.637  1.00  0.00           N  
HETATM   13  H1  UNL     1      -5.128   0.726   0.968  1.00  0.00           H  
HETATM   14  H2  UNL     1      -5.437   0.694  -0.787  1.00  0.00           H  
HETATM   15  H3  UNL     1      -4.557  -1.764   0.126  1.00  0.00           H  
HETATM   16  H4  UNL     1      -1.103  -1.456  -1.091  1.00  0.00           H  
HETATM   17  H5  UNL     1      -0.949  -1.211   0.687  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.180   1.084  -1.334  1.00  0.00           H  
HETATM   19  H7  UNL     1      -0.967   1.205   0.440  1.00  0.00           H  
HETATM   20  H8  UNL     1       1.093   0.017  -1.544  1.00  0.00           H  
HETATM   21  H9  UNL     1       1.147   1.612  -0.785  1.00  0.00           H  
HETATM   22  H10 UNL     1       1.176   0.584   1.476  1.00  0.00           H  
HETATM   23  H11 UNL     1       1.066  -1.060   0.744  1.00  0.00           H  
HETATM   24  H12 UNL     1       3.391  -0.188   2.485  1.00  0.00           H  
HETATM   25  H13 UNL     1       5.351  -0.296  -1.327  1.00  0.00           H  
HETATM   26  H14 UNL     1       5.474   0.905  -0.010  1.00  0.00           H  
CONECT    1    2   13   14
CONECT    2    3    3
CONECT    3    4    5
CONECT    4   15
CONECT    5    6   16   17
CONECT    6    7   18   19
CONECT    7    8   20   21
CONECT    8    9   22   23
CONECT    9   10   11   11
CONECT   10   24
CONECT   11   12
CONECT   12   25   26
END
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SMILES for HMDB0248014 (Adipic dihydrazide)

NN=C(O)CCCCC(O)=NN
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INCHI for HMDB0248014 (Adipic dihydrazide)

InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
HexanedihydrazonateHMDB
Adipic acid dihydrazideHMDB
Adipic dihydrazideMeSH
Chemical FormulaC6H14N4O2
Average Molecular Weight174.204
Monoisotopic Molecular Weight174.111675707
IUPAC Namehexanedihydrazonic acid
Traditional Nameadipic acid dihydrazide
CAS Registry NumberNot Available
SMILES
NN=C(O)CCCCC(O)=NN
InChI Identifier
InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
InChI KeyIBVAQQYNSHJXBV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carboxylic acid hydrazides. These are carboxylic acid derivatives containing a carbonyl group in which the carbon is directly linked to a hydrazide group (N-N).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentCarboxylic acid hydrazides
Alternative Parents
Substituents
  • Carboxylic acid hydrazide
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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
logP-0.42ALOGPS
logP-0.077ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)5.58ChemAxon
pKa (Strongest Basic)2.96ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area117.22 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity46.4 m³·mol⁻¹ChemAxon
Polarizability17.86 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+139.08730932474
DeepCCS[M-H]-135.77330932474
DeepCCS[M-2H]-172.90430932474
DeepCCS[M+Na]+148.44230932474
AllCCS[M+H]+138.132859911
AllCCS[M+H-H2O]+134.332859911
AllCCS[M+NH4]+141.632859911
AllCCS[M+Na]+142.632859911
AllCCS[M-H]-135.732859911
AllCCS[M+Na-2H]-137.132859911
AllCCS[M+HCOO]-138.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Adipic dihydrazideNN=C(O)CCCCC(O)=NN2310.1Standard polar33892256
Adipic dihydrazideNN=C(O)CCCCC(O)=NN1957.5Standard non polar33892256
Adipic dihydrazideNN=C(O)CCCCC(O)=NN2264.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Adipic dihydrazide,3TMS,isomer #1C[Si](C)(C)NN=C(CCCCC(=NN)O[Si](C)(C)C)O[Si](C)(C)C2038.0Semi standard non polar33892256
Adipic dihydrazide,3TMS,isomer #1C[Si](C)(C)NN=C(CCCCC(=NN)O[Si](C)(C)C)O[Si](C)(C)C1937.3Standard non polar33892256
Adipic dihydrazide,3TMS,isomer #1C[Si](C)(C)NN=C(CCCCC(=NN)O[Si](C)(C)C)O[Si](C)(C)C3374.3Standard polar33892256
Adipic dihydrazide,3TMS,isomer #2C[Si](C)(C)NN=C(O)CCCCC(=NN[Si](C)(C)C)O[Si](C)(C)C2145.8Semi standard non polar33892256
Adipic dihydrazide,3TMS,isomer #2C[Si](C)(C)NN=C(O)CCCCC(=NN[Si](C)(C)C)O[Si](C)(C)C1959.2Standard non polar33892256
Adipic dihydrazide,3TMS,isomer #2C[Si](C)(C)NN=C(O)CCCCC(=NN[Si](C)(C)C)O[Si](C)(C)C3280.1Standard polar33892256
Adipic dihydrazide,3TMS,isomer #3C[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)=NN2175.8Semi standard non polar33892256
Adipic dihydrazide,3TMS,isomer #3C[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)=NN1955.8Standard non polar33892256
Adipic dihydrazide,3TMS,isomer #3C[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)=NN3404.3Standard polar33892256
Adipic dihydrazide,3TMS,isomer #4C[Si](C)(C)OC(CCCCC(O)=NN)=NN([Si](C)(C)C)[Si](C)(C)C2236.3Semi standard non polar33892256
Adipic dihydrazide,3TMS,isomer #4C[Si](C)(C)OC(CCCCC(O)=NN)=NN([Si](C)(C)C)[Si](C)(C)C1921.8Standard non polar33892256
Adipic dihydrazide,3TMS,isomer #4C[Si](C)(C)OC(CCCCC(O)=NN)=NN([Si](C)(C)C)[Si](C)(C)C3567.2Standard polar33892256
Adipic dihydrazide,3TMS,isomer #5C[Si](C)(C)NN=C(O)CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C2409.9Semi standard non polar33892256
Adipic dihydrazide,3TMS,isomer #5C[Si](C)(C)NN=C(O)CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C1941.2Standard non polar33892256
Adipic dihydrazide,3TMS,isomer #5C[Si](C)(C)NN=C(O)CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C3356.5Standard polar33892256
Adipic dihydrazide,4TMS,isomer #1C[Si](C)(C)NN=C(CCCCC(=NN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2111.7Semi standard non polar33892256
Adipic dihydrazide,4TMS,isomer #1C[Si](C)(C)NN=C(CCCCC(=NN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2025.8Standard non polar33892256
Adipic dihydrazide,4TMS,isomer #1C[Si](C)(C)NN=C(CCCCC(=NN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2695.3Standard polar33892256
Adipic dihydrazide,4TMS,isomer #2C[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=NN2195.3Semi standard non polar33892256
Adipic dihydrazide,4TMS,isomer #2C[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=NN1958.8Standard non polar33892256
Adipic dihydrazide,4TMS,isomer #2C[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=NN3236.7Standard polar33892256
Adipic dihydrazide,4TMS,isomer #3C[Si](C)(C)NN=C(CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2245.7Semi standard non polar33892256
Adipic dihydrazide,4TMS,isomer #3C[Si](C)(C)NN=C(CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2019.0Standard non polar33892256
Adipic dihydrazide,4TMS,isomer #3C[Si](C)(C)NN=C(CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2837.9Standard polar33892256
Adipic dihydrazide,4TMS,isomer #4C[Si](C)(C)NN=C(O)CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2297.4Semi standard non polar33892256
Adipic dihydrazide,4TMS,isomer #4C[Si](C)(C)NN=C(O)CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1974.4Standard non polar33892256
Adipic dihydrazide,4TMS,isomer #4C[Si](C)(C)NN=C(O)CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3084.8Standard polar33892256
Adipic dihydrazide,4TMS,isomer #5C[Si](C)(C)N(N=C(O)CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2400.5Semi standard non polar33892256
Adipic dihydrazide,4TMS,isomer #5C[Si](C)(C)N(N=C(O)CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2040.9Standard non polar33892256
Adipic dihydrazide,4TMS,isomer #5C[Si](C)(C)N(N=C(O)CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2946.8Standard polar33892256
Adipic dihydrazide,5TMS,isomer #1C[Si](C)(C)NN=C(CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2244.7Semi standard non polar33892256
Adipic dihydrazide,5TMS,isomer #1C[Si](C)(C)NN=C(CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2039.4Standard non polar33892256
Adipic dihydrazide,5TMS,isomer #1C[Si](C)(C)NN=C(CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2547.3Standard polar33892256
Adipic dihydrazide,5TMS,isomer #2C[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)=NN([Si](C)(C)C)[Si](C)(C)C2367.7Semi standard non polar33892256
Adipic dihydrazide,5TMS,isomer #2C[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)=NN([Si](C)(C)C)[Si](C)(C)C2057.2Standard non polar33892256
Adipic dihydrazide,5TMS,isomer #2C[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C)[Si](C)(C)C)=NN([Si](C)(C)C)[Si](C)(C)C2702.7Standard polar33892256
Adipic dihydrazide,6TMS,isomer #1C[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=NN([Si](C)(C)C)[Si](C)(C)C2368.5Semi standard non polar33892256
Adipic dihydrazide,6TMS,isomer #1C[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=NN([Si](C)(C)C)[Si](C)(C)C2074.8Standard non polar33892256
Adipic dihydrazide,6TMS,isomer #1C[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=NN([Si](C)(C)C)[Si](C)(C)C2471.1Standard polar33892256
Adipic dihydrazide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN=C(CCCCC(=NN)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2601.2Semi standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN=C(CCCCC(=NN)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2431.5Standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN=C(CCCCC(=NN)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3342.1Standard polar33892256
Adipic dihydrazide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NN=C(O)CCCCC(=NN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2745.2Semi standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NN=C(O)CCCCC(=NN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2438.2Standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NN=C(O)CCCCC(=NN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3217.3Standard polar33892256
Adipic dihydrazide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NN2686.1Semi standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NN2508.3Standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NN3394.7Standard polar33892256
Adipic dihydrazide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCCCC(O)=NN)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2749.4Semi standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCCCC(O)=NN)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2451.1Standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCCCC(O)=NN)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3568.3Standard polar33892256
Adipic dihydrazide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NN=C(O)CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2823.9Semi standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NN=C(O)CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2524.5Standard non polar33892256
Adipic dihydrazide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NN=C(O)CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3312.4Standard polar33892256
Adipic dihydrazide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN=C(CCCCC(=NN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2891.2Semi standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN=C(CCCCC(=NN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2587.2Standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN=C(CCCCC(=NN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2870.3Standard polar33892256
Adipic dihydrazide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=NN2916.6Semi standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=NN2616.9Standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=NN3254.2Standard polar33892256
Adipic dihydrazide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NN=C(CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2969.9Semi standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NN=C(CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2636.8Standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NN=C(CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2978.0Standard polar33892256
Adipic dihydrazide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN=C(O)CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3016.5Semi standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN=C(O)CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2614.7Standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN=C(O)CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3152.1Standard polar33892256
Adipic dihydrazide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(N=C(O)CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2966.1Semi standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(N=C(O)CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2768.3Standard non polar33892256
Adipic dihydrazide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(N=C(O)CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3090.3Standard polar33892256
Adipic dihydrazide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN=C(CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3181.0Semi standard non polar33892256
Adipic dihydrazide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN=C(CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2741.7Standard non polar33892256
Adipic dihydrazide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN=C(CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2864.9Standard polar33892256
Adipic dihydrazide,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3224.3Semi standard non polar33892256
Adipic dihydrazide,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2835.2Standard non polar33892256
Adipic dihydrazide,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCCCC(O)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2979.8Standard polar33892256
Adipic dihydrazide,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3444.9Semi standard non polar33892256
Adipic dihydrazide,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2945.7Standard non polar33892256
Adipic dihydrazide,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CCCCC(=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2875.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9400000000-21e0b43de6942dd2129b2021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adipic dihydrazide GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 10V, Positive-QTOFsplash10-004i-1900000000-6126202f6a55e9f6eaf62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 20V, Positive-QTOFsplash10-004i-2900000000-06e77d7192c21e718a002016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 40V, Positive-QTOFsplash10-0a4i-9000000000-657a1294822ac230489f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 10V, Negative-QTOFsplash10-00di-0900000000-073c574da1bf57836ec52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 20V, Negative-QTOFsplash10-0a4i-4900000000-5ab99c929c3df05d670b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 40V, Negative-QTOFsplash10-0abc-9100000000-46b77c4dab8eae79404c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 10V, Positive-QTOFsplash10-004l-0900000000-8f34dca179d94d32cd742021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 20V, Positive-QTOFsplash10-0pxr-5900000000-f16c3f88c2f83abccdff2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 40V, Positive-QTOFsplash10-0a4i-9000000000-9eeb4bab5d857675f6a32021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 10V, Negative-QTOFsplash10-0006-0900000000-d6a666add7bd49d9c9c12021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 20V, Negative-QTOFsplash10-0604-1900000000-fcf70373678841792d712021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipic dihydrazide 40V, Negative-QTOFsplash10-052f-9000000000-d07e158d71fc2a2972e42021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart 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 ID59505
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAdipic acid dihydrazide
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]