Spectrum VF-NPL-LTQ004512 for Ovalitenin B

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/C19H18O4/c1-21-18(13-6-4-3-5-7-13)12-16(20)14-8-9-17-15(10-11-23-17)19(14)22-2/h3-11,18H,12H2,1-2H3
C19H18O4
310.120509056
O=C(C1=CC=C2OC=CC2=C1OC)CC(OC)C=3C=CC=CC3
AADNEQWIZKTMBL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_UC_1212_p16_D03_POS_iTree_02.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.6736054523961466
0.6131421060406893
310.854982164171
M+H
879.8214843619348 ppm
-0.27349689182898373 Da