Spectrum NGA00296 for Lysergol

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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
Alkaloids
InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
BIXJFIJYBLJTMK-MEBBXXQBSA-N
C16H18N2O
254.141913196
OCC1C=C2C=3C=CC=C4NC=C(C43)CC2N(C)C1

Mass Spectral Metadata

NameValue
NGA00296
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
254.3347
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
2.315076236064954
0.8548867502983103
[M+H]+
255.149883196
0.0 ppm
0.0 Da