Spectrum CCMSLIB00005463652 for 4-HYDROXY-3-METHOXYPHENYLGLYCOL

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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
67423-45-4
na
InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3
C9H12O4
184.073558864
OC1=CC=C(C=C1OC)C(O)CO
FBWPWWWZWKPJFL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
184.074
1
MSV000084072/peak/positive/GNPS00001_D7_p.mzXML
MS2
GNPS-MSMLS
mpanitchpakdi, Dorrestein, Fernando Vargas
positive
2.677666891046657
0.8425492562388395
207.063
[M+Na]+
1.588231601062254 ppm
-3.2886400001075344E-4 Da