Spectrum CCMSLIB00005721071 for Orcinol

Rating: (*)★(*)★(*)★(*)☆( )☆

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
504-15-4
InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
C7H8O2
124.052429496
OC=1C=C(O)C=C(C1)C
OIPPWFOQEKKFEE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
124.05
1
f.amoykang/LD-KY-F77-55-E-4-3-1.mzML;
MS2
GNPS-LIBRARY
amoykang, Chen Dawei, Lin Wenhan
positive
2.835083339670539
0.6695824341197593
125.06
[M+H]+
3.1944346713577416 ppm
-3.994959999999992E-4 Da