Spectrum FiehnHILIC001444 for Phlorobenzophenone

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
CPEXFJVZFNYXGU-UHFFFAOYSA-N
C13H10O4
230.0579088
O=C(C=1C=CC=CC1)C=2C(O)=CC(O)=CC2O
InChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H

Mass Spectral Metadata

NameValue
M + 0
159
1.3477
negative
HCD (NCE 20-30-40%)
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.5171263693136416
0.5248897015302707
229.0503
[M-H]-
1.4529559665443823 ppm
-3.3280000002378074E-4 Da