Spectrum NGA02339 for Salutaridine

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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/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3
GVTRUVGBZQJVTF-UHFFFAOYSA-N
C19H21NO4
327.147058152
O=C1C=C2C3N(C)CCC2(C=C1OC)C4=C(O)C(OC)=CC=C4C3

Mass Spectral Metadata

NameValue
NGA02339
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
327.3835
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
2.2857278151511586
0.8440492773069121
[M+H]+
328.155028152
0.0 ppm
0.0 Da