Spectrum CCMSLIB00004678666 for Bufotenine

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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
C12H16N2O
204.126263132
OC=1C=CC=2NC=C(C2C1)CCN(C)C
InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
VTTONGPRPXSUTJ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
Orbitrap
384.23
0
f.Francesca90/Firenze_2_f.mzXML;
MS2
GNPS-LIBRARY
Dorrestein, Francesca90
positive
1.752023805194076
0.5257851971102327
205.213
[M+H]+
383.82981584988494 ppm
0.07876686800000243 Da