Spectrum VF-NPL-QEHF028029 for PIPERINE

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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
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+
285.13649346799997
C17H19NO3
O=C(C=CC=CC1=CC=C2OCOC2=C1)N3CCCCC3
MXXWOMGUGJBKIW-YPCIICBESA-N

Mass Spectral Metadata

NameValue
65HCD
NP_UC_2739_p10_C04_4.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
5.014651945246745
0.9473574848408147
308.1257019042969
[M+Na]+
1.8225149659536461 ppm
-5.615637031155529E-4 Da