Spectrum CCMSLIB00005436049 for N,O-dimethylcoclaurine

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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
C19H23NO3
313.16779359599997
OC=1C=C2C(=CC1OC)CCN(C)C2CC3=CC=C(OC)C=C3
InChI=1S/C19H23NO3/c1-20-9-8-14-11-19(23-3)18(21)12-16(14)17(20)10-13-4-6-15(22-2)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m0/s1
DLDZDBDYUZLISX-KRWDZBQOSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Lysate
qTof
313.168
1
f.amazonia/Library/C12e.mzXML;
MS2
GNPS-LIBRARY
amazonia, KOOLEN/ANGOLINI, ANGOLINI
positive
3.048158508723715
0.6323610907864287
314.175
[M+H]+
2.4304798279816144 ppm
-7.635959999561237E-4 Da