Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	49837
Common Name:	Phenylhydrazine
Systematic Name:	phenyldiazane
RefMet Name:	Phenylhydrazine
Synonyms:	phenylhydrazine [PubChem Synonyms]
Exact Mass:	108.0687 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C6H8N2
InChIKey:	HKOOXMFOFWEVGF-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Phenylhydrazines [C0000113]
ClassyFire direct parent:	Phenylhydrazines [C0000113]
MoNA MS spectra:	View MS spectra
SMILES:	c1ccc(cc1)NN
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	7516
HMDB ID:	HMDB0256439
KEGG ID:	C02304
MetaCyc ID:	PHENYLHYDRAZINE
EPA CompTox DB:	DTXCID301147
Plant Metabolite Hub(Pmhub):	MS000015916

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y