Spectrum CCMSLIB00000081554 for 3',4',5'-Trimethoxyacetophenone

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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
1136-86-3
InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
C11H14O4
210.089208928
O=C(C1=CC(OC)=C(OC)C(OC)=C1)C
VUGQIIQFXCXZJU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
210.089
1
gnps_3_4_5_Trimethoxyacetophenone_pos_MplusH.mgf
MS2
GNPS-LIBRARY
rsilva, Monica Pupo, Norberto Lopes
positive
1.0207518888446374
0.5696924762364497
211.09
[M+H]+
34.008849305992044 ppm
-0.007178928000001861 Da