Spectrum CCMSLIB00000081266 for N-acetyl-5-hydroxytryptamine

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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
1210-83-9
InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
C15H21N3O2
275.163376912
OC(=NC)OC1=CC=C2C(=C1)C3(C)CCN(C)C3N2C
PIJVFDBKTWXHHD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Crude
DI-ESI
qTof
219.113
1
f.rsilva/q_tof_25_05/gnps_Physostigmine_pos_MplusHminus57.mgf;
MS2
GNPS-LIBRARY
Mauricio Caraballo, amcaraballor, Norberto Lopes
positive
0.5610351221701309
0.3485907209192221
219.108
[M+H]+
260434.79431148103 ppm
-57.063346911999986 Da