Spectrum CCMSLIB00000078739 for "NCGC00160335-01!4,7,7-Trimethyl-2,3-dioxo-bicyclo[2.2.1]heptane-1-carboxylic acid"

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
C11H14O4
210.089208928
O=C(O)C12C(=O)C(=O)C(C)(CC1)C2(C)C
InChI=1S/C11H14O4/c1-9(2)10(3)4-5-11(9,8(14)15)7(13)6(10)12/h4-5H2,1-3H3,(H,14,15)/t10?,11-/m0/s1
MFGSQXUNSUJWPZ-DTIOYNMSSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Prestwick Phytochem Lib
qTOF
210.089
1
p1-A03_GA3_01_17876.mzXML
MS2
GNPS-PRESTWICKPHYTOCHEM
vphelan, Dorrestein, VVP/LMS
positive
4.506972334561918
0.6554390485159989
211.097
[M+H]+
0.8476103402552309 ppm
-1.789279999968585E-4 Da