Spectrum FiehnHILIC000522 for Methoxamine

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
WJAJPNHVVFWKKL-UHFFFAOYSA-N
C11H17NO3
211.120843404
OC(C1=CC(OC)=CC=C1OC)C(N)C
InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3

Mass Spectral Metadata

NameValue
M + 0
positive
895
HCD (NCE 20-30-40%)
5.047534
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.604556961970914
0.47176237716223673
212.128
[M+H]+
3.834496153327009 ppm
-8.134040000129517E-4 Da