Spectrum VF-NPL-QTOF009335 for Piperine

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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
O=C(C=CC=CC1=CC=C2OCOC2=C1)N3CCCCC3
MXXWOMGUGJBKIW-YPCIICBESA-N
C17H19NO3
285.136493468
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
120_84
5.4817 minutes
1.8615840966463244
0.7053973688846389
286.1438
[M+H]+
2.3186523699883708 ppm
-6.634680000274784E-4 Da