Spectrum VF-NPL-LTQ006186 for 2-Hydroxy-5 (6)Epoxy-Tetrahydrocaryophyllene

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/c1-13(2)9-11-10(13)5-8-15(4)12(17-15)6-7-14(11,3)16/h10-12,16H,5-9H2,1-4H3
C15H26O2
238.193280072
OC1(C)CCC2OC2(C)CCC3C1CC3(C)C
KGYCKUADVHYVLM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_C1_245_p4_D09_POS_iTree_12.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.2960351645779042
0.805271924169968
277.08858360434476
[M+K]+
732.6049489829736 ppm
-0.2029964676552254 Da