Spectrum CCMSLIB00004752867 for Tryptamine

Rating: (*)★(*)★(*)★(*)★(*)☆

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
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
APJYDQYYACXCRM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
0.0
1
f.negarg/160Gatech/Sponge_standards/TC_batch2/tryptamine_20_P1-B-5_01_2958.mzXML;
MS2
GNPS-LIBRARY
negarg, Neha Garg
positive
1.1722654165653215
0.6542537861236304
161.107
[M+H]+
6.3211654365800465 ppm
-0.0010183839999911015 Da