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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 13:23:46 UTC

Update Date

2021-09-26 23:08:02 UTC

HMDB ID

HMDB0254204

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Luminol

Description

5-aminophthalazine-1,4-diol belongs to the class of organic compounds known as phthalazinones. Phthalazinones are compounds containing a phthalazine bearing a ketone group. 5-aminophthalazine-1,4-diol is a moderately basic compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Luminol is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Luminol 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

HEADER    PROTEIN                                 22-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-APR-16         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       0.000  -4.620   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    6    7                                                  
CONECT    5    3    6    9                                                  
CONECT    6    4    5    8                                                  
CONECT    7    4   10   12                                                  
CONECT    8    6   11   13                                                  
CONECT    9    5                                                            
CONECT   10    7   11                                                       
CONECT   11    8   10                                                       
CONECT   12    7                                                            
CONECT   13    8                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   28    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Luminol	MeSH

Chemical Formula

C₈H₇N₃O₂

Average Molecular Weight

177.163

Monoisotopic Molecular Weight

177.053826477

IUPAC Name

5-aminophthalazine-1,4-diol

Traditional Name

luminol

CAS Registry Number

Not Available

SMILES

NC1=CC=CC2=C1C(O)=NN=C2O

InChI Identifier

InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)

InChI Key

HWYHZTIRURJOHG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phthalazinones. Phthalazinones are compounds containing a phthalazine bearing a ketone group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazanaphthalenes

Sub Class

Benzodiazines

Direct Parent

Phthalazinones

Alternative Parents

Substituents

Phthalazinone
Pyridazinone
Pyridazine
Benzenoid
Heteroaromatic compound
Vinylogous amide
Lactam
Azacycle
Amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Primary amine
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	0.05	ALOGPS
logP	0.52	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	8.42	ChemAxon
pKa (Strongest Basic)	2.12	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	92.26 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	49.5 m³·mol⁻¹	ChemAxon
Polarizability	16.29 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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]+	132.457	30932474
DeepCCS	[M-H]-	129.529	30932474
DeepCCS	[M-2H]-	166.208	30932474
DeepCCS	[M+Na]+	141.568	30932474
AllCCS	[M+H]+	138.3	32859911
AllCCS	[M+H-H2O]+	133.9	32859911
AllCCS	[M+NH4]+	142.5	32859911
AllCCS	[M+Na]+	143.7	32859911
AllCCS	[M-H]-	133.4	32859911
AllCCS	[M+Na-2H]-	133.8	32859911
AllCCS	[M+HCOO]-	134.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Luminol	NC1=CC=CC2=C1C(O)=NN=C2O	3389.5	Standard polar	33892256
Luminol	NC1=CC=CC2=C1C(O)=NN=C2O	2154.8	Standard non polar	33892256
Luminol	NC1=CC=CC2=C1C(O)=NN=C2O	2111.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Luminol,3TMS,isomer #1	C[Si](C)(C)NC1=CC=CC2=C(O[Si](C)(C)C)N=NC(O[Si](C)(C)C)=C12	2188.5	Semi standard non polar	33892256
Luminol,3TMS,isomer #1	C[Si](C)(C)NC1=CC=CC2=C(O[Si](C)(C)C)N=NC(O[Si](C)(C)C)=C12	2072.0	Standard non polar	33892256
Luminol,3TMS,isomer #1	C[Si](C)(C)NC1=CC=CC2=C(O[Si](C)(C)C)N=NC(O[Si](C)(C)C)=C12	2512.9	Standard polar	33892256
Luminol,3TMS,isomer #2	C[Si](C)(C)OC1=NN=C(O)C2=CC=CC(N([Si](C)(C)C)[Si](C)(C)C)=C12	2258.8	Semi standard non polar	33892256
Luminol,3TMS,isomer #2	C[Si](C)(C)OC1=NN=C(O)C2=CC=CC(N([Si](C)(C)C)[Si](C)(C)C)=C12	2210.5	Standard non polar	33892256
Luminol,3TMS,isomer #2	C[Si](C)(C)OC1=NN=C(O)C2=CC=CC(N([Si](C)(C)C)[Si](C)(C)C)=C12	2485.0	Standard polar	33892256
Luminol,3TMS,isomer #3	C[Si](C)(C)OC1=NN=C(O)C2=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12	2183.7	Semi standard non polar	33892256
Luminol,3TMS,isomer #3	C[Si](C)(C)OC1=NN=C(O)C2=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12	2192.7	Standard non polar	33892256
Luminol,3TMS,isomer #3	C[Si](C)(C)OC1=NN=C(O)C2=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12	2473.7	Standard polar	33892256
Luminol,4TMS,isomer #1	C[Si](C)(C)OC1=NN=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12	2180.5	Semi standard non polar	33892256
Luminol,4TMS,isomer #1	C[Si](C)(C)OC1=NN=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12	2113.2	Standard non polar	33892256
Luminol,4TMS,isomer #1	C[Si](C)(C)OC1=NN=C(O[Si](C)(C)C)C2=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12	2340.2	Standard polar	33892256
Luminol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=CC2=C(O[Si](C)(C)C(C)(C)C)N=NC(O[Si](C)(C)C(C)(C)C)=C12	2775.3	Semi standard non polar	33892256
Luminol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=CC2=C(O[Si](C)(C)C(C)(C)C)N=NC(O[Si](C)(C)C(C)(C)C)=C12	2710.5	Standard non polar	33892256
Luminol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=CC2=C(O[Si](C)(C)C(C)(C)C)N=NC(O[Si](C)(C)C(C)(C)C)=C12	2775.7	Standard polar	33892256
Luminol,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NN=C(O)C2=CC=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C12	2865.5	Semi standard non polar	33892256
Luminol,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NN=C(O)C2=CC=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C12	2834.0	Standard non polar	33892256
Luminol,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NN=C(O)C2=CC=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C12	2755.0	Standard polar	33892256
Luminol,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NN=C(O)C2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12	2841.5	Semi standard non polar	33892256
Luminol,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NN=C(O)C2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12	2846.6	Standard non polar	33892256
Luminol,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NN=C(O)C2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12	2745.9	Standard polar	33892256
Luminol,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NN=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12	2951.5	Semi standard non polar	33892256
Luminol,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NN=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12	2956.9	Standard non polar	33892256
Luminol,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NN=C(O[Si](C)(C)C(C)(C)C)C2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12	2740.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (Non-derivatized) - 70eV, Positive	splash10-00dj-0900000000-a117d55fb1952b8ad3a7	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luminol GC-MS (TBDMS_2_4) - 70eV, Positive	Not Available	2021-11-04	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 - Luminol 10V, Positive-QTOF	splash10-01t9-0900000000-7e1cf6aa8ade303d247d	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 20V, Positive-QTOF	splash10-03fr-0900000000-e6178911e94846341ccb	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 40V, Positive-QTOF	splash10-03di-6900000000-a9f7382fb480b40bdbac	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 10V, Negative-QTOF	splash10-004i-0900000000-40d3f4613159948dc27b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 20V, Negative-QTOF	splash10-056r-0900000000-e4da234fa2228fff3e77	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 40V, Negative-QTOF	splash10-0006-9400000000-3200babf1f1266c41bca	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 10V, Positive-QTOF	splash10-004i-0900000000-99ab34fba94772d3317c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 20V, Positive-QTOF	splash10-004i-0900000000-018100afd2e411ec9aa1	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 40V, Positive-QTOF	splash10-006x-5900000000-8af8d0c7141902204234	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 10V, Negative-QTOF	splash10-056r-0900000000-f4f550d794c674a4cb30	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 20V, Negative-QTOF	splash10-056r-1900000000-9c490f5df598750bd4ba	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luminol 40V, Negative-QTOF	splash10-0006-9400000000-8b555226a2302dd935e6	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-25	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10638

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 Luminol (HMDB0254204)

MOL for HMDB0254204 (Luminol)

3D MOL for HMDB0254204 (Luminol)

3D SDF for HMDB0254204 (Luminol)

3D-SDF for HMDB0254204 (Luminol)

PDB for HMDB0254204 (Luminol)

3D PDB for HMDB0254204 (Luminol)

SMILES for HMDB0254204 (Luminol)

INCHI for HMDB0254204 (Luminol)

Structure for HMDB0254204 (Luminol)

3D Structure for HMDB0254204 (Luminol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra