Spectrum VF-NPL-QEHF006107 for jaeschkeanadiol

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/C15H26O2/c1-10(2)15(17)8-7-14(4)6-5-11(3)9-12(16)13(14)15/h5,10,12-13,16-17H,6-9H2,1-4H3/t12-,13+,14-,15+/m0/s1
C15H26O2
238.193280072
OC1CC(=CCC2(C)CCC(O)(C(C)C)C12)C
SUAPQGLGNKUSLY-LJISPDSOSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C2_421_p08_D10_POS_QEHF_88.raw
23
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.86526459419704
0.4734339687044395
239.20054626464838
[M+H]+
2.9423317070275914 ppm
-7.038073516127952E-4 Da