Spectrum FiehnHILIC000713 for Pterostilbene

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC 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
VLEUZFDZJKSGMX-ONEGZZNKSA-N
C16H16O3
256.109944372
OC1=CC=C(C=C1)C=CC=2C=C(OC)C=C(OC)C2
InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+

Mass Spectral Metadata

NameValue
M + 0
positive
HCD (NCE 20-30-40%)
0.9815
88
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.3895687041134437
0.591031017371514
257.117
[M+H]+
3.5562487114980934 ppm
-9.143719999542554E-4 Da