Metabolite Se-methylselenocysteine selenoxide

Name

Se-methylselenocysteine selenoxide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 198.091
Monoisotopic: 198.974765

Chemical Formula

C₄H₉NO₃Se

InChI Key

WEFKWJANOGARQD-UHFFFAOYSA-N

InChI

InChI=1S/C4H9NO3Se/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

IUPAC Name

2-amino-3-methaneseleninylpropanoic acid

SMILES

C[Se](=O)CC(N)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-7f0da5f2f9bcc89c3b2e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0900000000-eb2fd317fa1248faf378
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03l3-4900000000-9cf721d2bf95f296f8d3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0900000000-34026d06d35c7f06d45a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0900000000-fd30cbb3f35cb2c4b53f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-5900000000-98ee2cd600fc0ff794af

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	127.82016	predicted	DeepCCS 1.0 (2019)
[M+H]+	131.38643	predicted	DeepCCS 1.0 (2019)
[M+Na]+	139.96886	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties