Prulaurasin

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Systematic / IUPAC Name: 2-Phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

ID: Reference8220

Other Names: Prunasine;
(β-D-Glucopyranosyloxy)(phenyl)acetonitrile;
2-Phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile;
α-(β-D-Glucopyranosyloxy)benzeneacetonitrile;
α-(β-D-Glucopyranosyloxy)-benzeneacetonitrile ; more

Formula: C14H17NO6

Spectral Data

Prulaurasin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 80
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/27/2018 10:18:57 AM
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Identificators

InChI InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1
InChI Key ZKSZEJFBGODIJW-MXNNCRBYSA-N
Canonical SMILES C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O
CAS
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Other Names Prunasine;
(β-D-Glucopyranosyloxy)(phenyl)acetonitrile;
2-Phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile;
α-(β-D-Glucopyranosyloxy)benzeneacetonitrile;
α-(β-D-Glucopyranosyloxy)-benzeneacetonitrile;
Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-;
D,L-Mandelonitrile-β-D-glucoside;
Mandelonitrile β-D-glucopyranoside;
Mandelonitrile β-D-glucoside;
Mandelonitrile glucoside

In Other Databases

HMDb HMDB35022
ChEBI CHEBI:25150
ChemIDPlus 000138534
ChemSpider 107701
PubChem 120639