Spectrum FiehnHILIC000823 for Tryptamine

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
APJYDQYYACXCRM-UHFFFAOYSA-N
C10H12N2
160.100048384
NCCC1=CNC=2C=CC=CC21
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2

Mass Spectral Metadata

NameValue
M + 0
positive
HCD (NCE 20-30-40%)
885
5.003383
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)
0.12001004008859359
0.05004807401306585
161.1072
[M+H]+
5.079748142755024 ppm
-8.183839999844622E-4 Da