Spectrum FiehnHILIC002124 for N-Acetyl-5-hydroxytryptamine

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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
MVAWJSIDNICKHF-UHFFFAOYSA-N
C12H14N2O2
218.105527688
OC=1C=CC=2NC=C(C2C1)CCN=C(O)C
InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)

Mass Spectral Metadata

NameValue
M + 0
1.429217
15 eV
positive
103
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.0486366103647233
0.4519782993091057
219.1131
[M+H]+
1.814989610354256 ppm
-3.9768799999251314E-4 Da