Metabolite Monomethylarsonic acid

Name

Monomethylarsonic acid

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

J37VJ5709S

CAS number

Not Available

Weight

Average: 139.9702
Monoisotopic: 139.945465443

Chemical Formula

CH₅AsO₃

InChI Key

QYPPRTNMGCREIM-UHFFFAOYSA-N

InChI

InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)

IUPAC Name

methylarsonic acid

SMILES

C[As](O)(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00di-0900000000-da4d5da1a88bf0f506f4
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0900000000-9dc66adc6b60527f585b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0900000000-6a43184ee6c27b4b44a5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0079-0900000000-0667da5c09fa505970f8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00dl-0900000000-181ec0a64788b137f6db
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0900000000-19cab4a2ab8a7d3b9643
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0900000000-748b2c2d9547780fad75

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	96.8790068	predicted	DarkChem Lite v0.1.0
[M-H]-	96.8964068	predicted	DarkChem Lite v0.1.0

External Links

Predicted Properties