Spectrum PM000708 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
327.15
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/t13-,19+/m1/s1
GVTRUVGBZQJVTF-YJYMSZOUSA-N
C19H21NO4
327.14705815200006
O=C1C=C2C3N(C)CCC2(C=C1OC)C4=C(O)C(OC)=CC=C4C3

Mass Spectral Metadata

NameValue
PM000708
Raith K, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
QIT
LCQ Classic
16%
ESI
positive
authentic sample
[M+H]+
MS2
1.838941901421261
0.7400446618701552
328
[M+H]+
472.64680487822164 ppm
-0.1550281520000567 Da