Spectrum VF-NPL-QTOF003094 for 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
APSZCQZJXWEGJS-UHFFFAOYSA-N
C13H13NO2
215.094628656
O=C1C(O)=C(C=2C=CC=CC2)C3N1CCC3
InChI=1S/C13H13NO2/c15-12-11(9-5-2-1-3-6-9)10-7-4-8-14(10)13(12)16/h1-3,5-6,10,15H,4,7-8H2

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
40 V
MX_UC_145
3.9177 minutes
2.993859937657416
0.8230347835616931
216.1016
[M+H]+
4.6212337160264365 ppm
-9.986560000072586E-4 Da