Spectrum FiehnHILIC002338 for Synephrine

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
YRCWQPVGYLYSOX-UHFFFAOYSA-N
C9H13NO2
167.094628656
OC1=CC=C(C=C1)C(O)CNC
InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
568
35 eV
5.350117
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.7149293028106753
0.6434232361941769
168.1021
[M+H]+
2.966387689330831 ppm
-4.986559999906603E-4 Da