Metabolite Norepinephrine

Name

Norepinephrine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

K294OAI79V

CAS number

Not Available

Weight

Average: 169.1778
Monoisotopic: 169.073893223

Chemical Formula

C₈H₁₁NO₃

InChI Key

SFLSHLFXELFNJZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2

IUPAC Name

4-(2-amino-1-hydroxyethyl)benzene-1,2-diol

SMILES

NCC(O)C1=CC(O)=C(O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-001i-9700000000-f689a79fc40dd7d610c9
GC-MS Spectrum - GC-EI-TOF	GC-MS	splash10-00di-1900000000-7c276dc87ffc587a13a2
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f79-0900000000-896484e430e3087072a9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0900000000-49133b6a8427bb3f1ca7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0900000000-0627daf392c4b672c266
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ff0-7900000000-270051fc2fc1371045c1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dr-0900000000-545365e11d4807acbd03
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a59-7900000000-f0efc4da363b1812a0d9

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	140.1471961	predicted	DarkChem Lite v0.1.0
[M-H]-	134.75554	predicted	DeepCCS 1.0 (2019)
[M+H]+	140.7133961	predicted	DarkChem Lite v0.1.0
[M+H]+	138.5815	predicted	DeepCCS 1.0 (2019)
[M+Na]+	140.3771961	predicted	DarkChem Lite v0.1.0
[M+Na]+	147.96523	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties