Spectrum FiehnHILIC002391 for Tryptamine

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  • 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
15 eV
positive
4.7123
35 eV
451
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.8057856902137188
0.48010891063176875
161.1063
[M+H]+
10.666150237364507 ppm
-0.0017183839999859174 Da