Spectrum KO001381 for 5-Methoxytryptamine

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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
InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
JTEJPPKMYBDEMY-UHFFFAOYSA-N
C11H14N2O
190.110613068
O(C=1C=CC=2NC=C(C2C1)CCN)C

Mass Spectral Metadata

NameValue
KO001381
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID M040
190.11061
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
negative
1.2834131604553365
0.6595438957335203
189
[M-H]-
546.7569735449833 ppm
-0.10333706800000186 Da