Spectrum VF-NPL-QEHF004670 for 2,3',4,6-Tetrahydroxybenzophenone

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products 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
InChI=1S/C13H10O5/c14-8-3-1-2-7(4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
C13H10O5
246.05282341999998
O=C(C=1C=CC=C(O)C1)C=2C(O)=CC(O)=CC2O
QWRYPHZJTWQLFX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C2_231_p22_G07_POS_QEHF_1018.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.208713221434746
0.7391835651614919
247.0601043701172
[M+H]+
2.7889969712067457 ppm
-6.890498827942793E-4 Da