Spectrum PM005201 for Hydroxytyrosol

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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
Phenol
154.06
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
JUUBCHWRXWPFFH-UHFFFAOYSA-N
C8H10O3
154.06299417999998
OC1=CC=C(C=C1O)CCO

Mass Spectral Metadata

NameValue
PM005201
de la Torre-Carbot K, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
QqQ
API 3000
30V
ESI
negative
Virgin olive oil
[M-H]-
MS2
0.0
NaN
153
[M-H]-
364.171111111015 ppm
-0.055718179999985296 Da