Spectrum FiehnHILIC002396 for Tyramine

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
DZGWFCGJZKJUFP-UHFFFAOYSA-N
C8H11NO
137.084063972
OC1=CC=C(C=C1)CCN
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2

Mass Spectral Metadata

NameValue
M + 0
5.254817
15 eV
positive
35 eV
488
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.5620622571199125
0.5633948679766797
138.0907
[M+H]+
9.660114692717393 ppm
-0.0013339719999976296 Da