Spectrum CCMSLIB00005436058 for N-methylasimilobine

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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
C18H19NO2
281.14157884800005
OC=1C=C2C3=C(C1OC)C4=CC=CC=C4CC3N(C)CC2
InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/t14-/m1/s1
AKXOIHNFHOEPHN-CQSZACIVSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Crude
qTof
281.142
1
f.amazonia/Library/C14e.mzXML;
GNPS-LIBRARY
amazonia, KOOLEN/ANGOLINI, ANGOLINI
positive
2.142966041437233
0.4963455567413251
282.149
[M+H]+
1.9452416987153556 ppm
-5.488480000508389E-4 Da